Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T31825 | Target Info | |||
| Target Name | Hemoglobin subunit beta (HBB) | ||||
| Synonyms | LVVhemorphin7; Hemoglobin beta chain; Betaglobin; Beta-globin | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | HBB | ||||
| Biochemical Class | Pore-forming globin | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Nitric oxide | Ligand Info | |||||
| Structure Description | Human hemoglobin nitric oxide adduct | PDB:4N8T | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [1] |
| PDB Sequence |
VHLTPEEKSA
10 VTALWGKVNV20 DEVGGEALGR30 LLVVYPWTQR40 FFESFGDLST50 PDAVMGNPKV 60 KAHGKKVLGA70 FSDGLAHLDN80 LKGTFATLSE90 LHCDKLHVDP100 ENFRLLGNVL 110 VCVLAHHFGK120 EFTPPVQAAY130 QKVVAGVANA140 LAHKYH
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Myo-inositol hexaphosphate | Ligand Info | |||||
| Structure Description | REFINEMENT OF A PARTIALLY OXYGENATED T STATE HAEMOGLOBIN AT 1.5 ANGSTROMS RESOLUTION | PDB:1THB | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [2] |
| PDB Sequence |
VHLTPEEKSA
10 VTALWGKVNV20 DEVGGEALGR30 LLVVYPWTQR40 FFESFGDLST50 PDAVMGNPKV 60 KAHGKKVLGA70 FSDGLAHLDN80 LKGTFATLSE90 LHCDKLHVDP100 ENFRLLGNVL 110 VCVLAHHFGK120 EFTPPVQAAY130 QKVVAGVANA140 LAHKYH
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Xenon | Ligand Info | |||||
| Structure Description | Structure of Human deoxy Hemoglobin A in complex with Xenon | PDB:2W6V | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [3] |
| PDB Sequence |
VHLTPEEKSA
10 VTALWGKVNV20 DEVGGEALGR30 LLVVYPWTQR40 FFESFGDLST50 PDAVMGNPKV 60 KAHGKKVLGA70 FSDGLAHLDN80 LKGTFATLSE90 LHCDKLHVDP100 ENFRLLGNVL 110 VCVLAHHFGK120 EFTPPVQAAY130 QKVVAGVANA140 LAHKYH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .XE or .XE2 or .XE3 or :3XE;style chemicals stick;color identity;select .B:6 or .B:7 or .B:10 or .B:71 or .B:103 or .B:107 or .B:125 or .B:126 or .B:134 or .B:137 or .B:138; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Efaproxyn | Ligand Info | |||||
| Structure Description | HIGH RESOLUTION CRYSTAL STRUCTURE OF DEOXY HEMOGLOBIN COMPLEXED WITH A POTENT ALLOSTERIC EFFECTOR | PDB:1G9V | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [4] |
| PDB Sequence |
VHLTPEEKSA
210 VTALWGKVNV220 DEVGGEALGR230 LLVVYPWTQR240 FFESFGDLST250 PDAVMGNPKV 260 KAHGKKVLGA270 FSDGLAHLDN280 LKGTFATLSE290 LHCDKLHVDP300 ENFRLLGNVL 310 VCVLAHHFGK320 EFTPPVQAAY330 QKVVAGVANA340 LAHKYH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RQ3 or .RQ32 or .RQ33 or :3RQ3;style chemicals stick;color identity;select .B:235 or .B:237 or .B:305 or .B:308; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Sphingosine-1-phosphate | Ligand Info | |||||
| Structure Description | Crystal structure of deoxygenated hemoglobin in complex with sphingosine phosphate and 2,3-Bisphosphoglycerate | PDB:5KSI | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [5] |
| PDB Sequence |
VHLTPEEKSA
10 VTALWGKVNV20 DEVGGEALGR30 LLVVYPWTQR40 FFESFGDLST50 PDAVMGNPKV 60 KAHGKKVLGA70 FSDGLAHLDN80 LKGTFATLSE90 LHCDKLHVDP100 ENFRLLGNVL 110 VCVLAHHFGK120 EFTPPVQAAY130 QKVVAGVANA140 LAHKYH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .S1P or .S1P2 or .S1P3 or :3S1P;style chemicals stick;color identity;select .B:108 or .B:131; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 2-[(2-methoxy-5-methylphenoxy)methyl]pyridine | Ligand Info | |||||
| Structure Description | Crystal Structure of liganded hemoglobin in complex with a potent antisickling agent, INN-298 | PDB:3IC0 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [6] |
| PDB Sequence |
VHLTPEEKSA
10 VTALWGKVNV20 DEVGGEALGR30 LLVVYPWTQR40 FFESFGDLST50 PDAVMGNPKV 60 KAHGKKVLGA70 FSDGLAHLDN80 LKGTFATLSE90 LHCDKLHVDP100 ENFRLLGNVL 110 VCVLAHHFGK120 EFTPPVQAAY130 QKVVAGVANA140 LAHKYH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .B77 or .B772 or .B773 or :3B77;style chemicals stick;color identity;select .B:34 or .B:35 or .B:36 or .B:37 or .B:101 or .B:105; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Toluene | Ligand Info | |||||
| Structure Description | Human tetrameric hemoglobin: proximal nitrite ligand at beta | PDB:3ONZ | ||||
| Method | X-ray diffraction | Resolution | 2.09 Å | Mutation | No | [7] |
| PDB Sequence |
VHLTPEEKSA
10 VTALWGKVNV20 DEVGGEALGR30 LLVVYPWTQR40 FFESFGDLST50 PDAVMGNPKV 60 KAHGKKVLGA70 FSDGLAHLDN80 LKGTFATHVD99 PENFRLLGNV109 LVCVLAHHFG 119 KEFTPPVQAA129 YQKVVAGVAN139 ALAH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MBN or .MBN2 or .MBN3 or :3MBN;style chemicals stick;color identity;select .B:31 or .B:41 or .B:42 or .B:67 or .B:71 or .B:92 or .B:98 or .B:102 or .B:103 or .B:106 or .B:107 or .B:110 or .B:134 or .B:137 or .B:138 or .B:141; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Cysteine Sulfenic Acid | Ligand Info | |||||
| Structure Description | Crystallographic Analysis of the Interaction of Nitric Oxide with Quaternary-T Human Hemoglobin, HEMOGLOBIN EXPOSED TO NO UNDER AEROBIC CONDITIONS | PDB:1RQ4 | ||||
| Method | X-ray diffraction | Resolution | 2.11 Å | Mutation | Yes | [8] |
| PDB Sequence |
VHLTPEEKSA
10 VTALWGKVNV20 DEVGGEALGR30 LLVVYPWTQR40 FFESFGDLST50 PDAVMGNPKV 60 KAHGKKVLGA70 FSDGLAHLDN80 LKGTFATLSE90 LHDKLHVDPE101 NFRLLGNVLV 111 CVLAHHFGKE121 FTPPVQAAYQ131 KVVAGVANAL141 AHKYH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSO or .CSO2 or .CSO3 or :3CSO;style chemicals stick;color identity;select .B:88 or .B:89 or .B:90 or .B:91 or .B:92 or .B:94 or .B:95 or .B:96 or .B:97 or .B:98 or .B:144 or .B:145 or .B:146; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-[(Dihydroxyamino)oxymethyl]-5-methylfuran | Ligand Info | |||||
| Structure Description | Crystal structure of deoxygenated hemoglobin in complex with 5HMF-NO at 1.8 Angstrom | PDB:7UD7 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [9] |
| PDB Sequence |
VHLTPEEKSA
10 VTALWGKVNV20 DEVGGEALGR30 LLVVYPWTQR40 FFESFGDLST50 PDAVMGNPKV 60 KAHGKKVLGA70 FSDGLAHLDN80 LKGTFATLSE90 LHCDKLHVDP100 ENFRLLGNVL 110 VCVLAHHFGK120 EFTPPVQAAY130 QKVVAGVANA140 LAHKYH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MWC or .MWC2 or .MWC3 or :3MWC;style chemicals stick;color identity;select .B:37; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 5-(5-methylfuran-2-yl)-1H-pyrazole | Ligand Info | |||||
| Structure Description | Crystal structure of liganded Hb with the 5-HMF analog, MMA503 | PDB:7UF7 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [10] |
| PDB Sequence |
VHLTPEEKSA
10 VTALWGKVNV20 DEVGGEALGR30 LLVVYPWTQR40 FFESFGDLST50 PDAVMGNPKV 60 KAHGKKVLGA70 FSDGLAHLDN80 LKGTFATLSE90 LHCDKLHVDP100 ENFRLLGNVL 110 VCVLAHHFGK120 EFTPPVQAAY130 QKVVAGVANA140 LAHKYH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .N2Q or .N2Q2 or .N2Q3 or :3N2Q;style chemicals stick;color identity;select .B:34 or .B:36 or .B:37; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Ferroheme c(2-) | Ligand Info | |||||
| Structure Description | Solution structure of Human normal adult hemoglobin | PDB:2H35 | ||||
| Method | Solution NMR | Resolution | N.A. | Mutation | No | [11] |
| PDB Sequence |
VHLTPEEKSA
10 VTALWGKVNV20 DEVGGEALGR30 LLVVYPWTQR40 FFESFGDLST50 PDAVMGNPKV 60 KAHGKKVLGA70 FSDGLAHLDN80 LKGTFATLSE90 LHCDKLHVDP100 ENFRLLGNVL 110 VCVLAHHFGK120 EFTPPVQAAY130 QKVVAGVANA140 LAHKYH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HEC or .HEC2 or .HEC3 or :3HEC;style chemicals stick;color identity;select .B:28 or .B:31 or .B:32 or .B:38 or .B:41 or .B:42 or .B:44 or .B:45 or .B:63 or .B:66 or .B:67 or .B:68 or .B:70 or .B:71 or .B:85 or .B:88 or .B:91 or .B:92 or .B:96 or .B:98 or .B:102 or .B:103 or .B:106 or .B:137 or .B:138 or .B:141; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU28
4.511
LEU31
2.428
LEU32
4.486
THR38
2.382
PHE41
2.526
PHE42
2.362
SER44
4.097
PHE45
3.068
HIS63
1.882
LYS66
2.357
VAL67
2.348
LEU68
4.587
ALA70
2.466
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Fumaraldehyde | Ligand Info | |||||
| Structure Description | Crosslinked alpha(Ni)-beta(Ni) human hemoglobin A in the T quaternary structure at 95 K: Light | PDB:6LCX | ||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | No | [12] |
| PDB Sequence |
VHLTPEEKSA
10 VTALWGKVNV20 DEVGGEALGR30 LLVVYPWTQR40 FFESFGDLST50 PDAVMGNPKV 60 KAHGKKVLGA70 FSDGLAHLDN80 LKGTFATLSE90 LHCDKLHVDP100 ENFRLLGNVL 110 VCVLAHHFGK120 EFTPPVQAAY130 QKVVAGVANA140 LAHKYH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2FU or .2FU2 or .2FU3 or :32FU;style chemicals stick;color identity;select .B:1 or .B:82; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Protoporphyrin IX containing NI(II) | Ligand Info | |||||
| Structure Description | Crosslinked alpha(Fe-CO)-beta(Ni) human hemoglobin A in the T quaternary structure at 95 K: Dark | PDB:6KA9 | ||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | No | [12] |
| PDB Sequence |
VHLTPEEKSA
10 VTALWGKVNV20 DEVGGEALGR30 LLVVYPWTQR40 FFESFGDLST50 PDAVMGNPKV 60 KAHGKKVLGA70 FSDGLAHLDN80 LKGTFATLSE90 LHCDKLHVDP100 ENFRLLGNVL 110 VCVLAHHFGK120 EFTPPVQAAY130 QKVVAGVANA140 LAHKYH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HNI or .HNI2 or .HNI3 or :3HNI;style chemicals stick;color identity;select .B:31 or .B:38 or .B:41 or .B:42 or .B:44 or .B:45 or .B:63 or .B:66 or .B:67 or .B:70 or .B:71 or .B:85 or .B:88 or .B:91 or .B:92 or .B:96 or .B:98 or .B:102 or .B:103 or .B:106 or .B:137 or .B:141; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU31
3.745
THR38
4.112
PHE41
3.626
PHE42
3.740
SER44
4.539
PHE45
3.988
HIS63
3.186
LYS66
3.391
VAL67
3.431
ALA70
3.689
PHE71
3.927
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 3-(2,5-dioxopyrrolidin-1-yl)-N-methylpropanamide | Ligand Info | |||||
| Structure Description | Crystal structure of ferric R-state human methemoglobin bound to maleimide-deferoxamine bifunctional chelator (DFO) | PDB:6HK2 | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [13] |
| PDB Sequence |
VHLTPEEKSA
10 VTALWGKVNV20 DEVGGEALGR30 LLVVYPWTQR40 FFESFGDLST50 PDAVMGNPKV 60 KAHGKKVLGA70 FSDGLAHLDN80 LKGTFATLSE90 LHCDKLHVDP100 ENFRLLGNVL 110 VCVLAHHFGK120 EFTPPVQAAY130 QKVVAGVANA140 LAHKYH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .G7Z or .G7Z2 or .G7Z3 or :3G7Z;style chemicals stick;color identity;select .B:89 or .B:90 or .B:93 or .B:94 or .B:144 or .B:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1H-1,2,3-Triazole-4-thiol | Ligand Info | |||||
| Structure Description | Crystal structure of Deoxy Hemoglobin in complex with beta Cys93 modifying agent, TD3 | PDB:6BWP | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [14] |
| PDB Sequence |
VHLTPEEKSA
10 VTALWGKVNV20 DEVGGEALGR30 LLVVYPWTQR40 FFESFGDLST50 PDAVMGNPKV 60 KAHGKKVLGA70 FSDGLAHLDN80 LKGTFATLSE90 LHCDKLHVDP100 ENFRLLGNVL 110 VCVLAHHFGK120 EFTPPVQAAY130 QKVVAGVANA140 LAHKYH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EBJ or .EBJ2 or .EBJ3 or :3EBJ;style chemicals stick;color identity;select .B:90 or .B:93 or .B:94 or .B:144 or .B:145 or .B:146; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 2-[4-({[(3,5-Dichlorophenyl)amino]carbonyl}amino)phenoxy]-2-methylpropanoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of deoxy human hemoglobin complexed with two L35 molecules | PDB:2D60 | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [15] |
| PDB Sequence |
HLTPEEKSAV
11 TALWGKVNVD21 EVGGEALGRL31 LVVYPWTQRF41 FESFGDLSTP51 DAVMGNPKVK 61 AHGKKVLGAF71 SDGLAHLDNL81 KGTFATLSEL91 HCDKLHVDPE101 NFRLLGNVLV 111 CVLAHHFGKE121 FTPPVQAAYQ131 KVVAGVANAL141 AHKYH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .L35 or .L352 or .L353 or :3L35;style chemicals stick;color identity;select .B:35 or .B:37 or .B:105 or .B:108; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-{2,3-Dichloro-4-[3-(1h-Imidazol-2-Yl)propanoyl]phenoxy}butanoic Acid | Ligand Info | |||||
| Structure Description | Deoxyhemoglobin in complex with imidazolylacryloyl derivatives | PDB:4ROL | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [16] |
| PDB Sequence |
VHLTPEEKSA
10 VTALWGKVNV20 DEVGGEALGR30 LLVVYPWTQR40 FFESFGDLST50 PDAVMGNPKV 60 KAHGKKVLGA70 FSDGLAHLDN80 LKGTFATLSE90 LHCDKLHVDP100 ENFRLLGNVL 110 VCVLAHHFGK120 EFTPPVQAAY130 QKVVAGVANA140 LAHKYH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3U7 or .3U72 or .3U73 or :33U7;style chemicals stick;color identity;select .B:37; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Magnesium;3-[18-(2-carboxyethyl)-7,12-bis(ethenyl)-3,8,13,17-tetramethylporphyrin-22,24-diium-21,23-diid-2-yl]propanoic acid | Ligand Info | |||||
| Structure Description | MAGNESIUM(II)-AND ZINC(II)-PROTOPORPHYRIN IX'S STABILIZE THE LOWEST OXYGEN AFFINITY STATE OF HUMAN HEMOGLOBIN EVEN MORE STRONGLY THAN DEOXYHEME | PDB:1QSH | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [17] |
| PDB Sequence |
VHLTPEEKSA
10 VTALWGKVNV20 DEVGGEALGR30 LLVVYPWTQR40 FFESFGDLST50 PDAVMGNPKV 60 KAHGKKVLGA70 FSDGLAHLDN80 LKGTFATLSE90 LHCDKLHVDP100 ENFRLLGNVL 110 VCVLAHHFGK120 EFTPPVQAAY130 QKVVAGVANA140 LAHKYH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HEG or .HEG2 or .HEG3 or :3HEG;style chemicals stick;color identity;select .B:31 or .B:38 or .B:41 or .B:42 or .B:63 or .B:66 or .B:67 or .B:70 or .B:71 or .B:85 or .B:88 or .B:91 or .B:92 or .B:96 or .B:98 or .B:102 or .B:103 or .B:106 or .B:137 or .B:141; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (2r)-2-({(2s)-3-(Biphenyl-4-Yl)-2-[(3,5-Dimethylbenzoyl)(Methyl)amino]propanoyl}amino)-3-(1h-Indol-3-Yl)propanoic Acid (Non-Preferred Name) | Ligand Info | |||||
| Structure Description | Deoxygenated Hb in complex with the allosteric effectors, IRL2500 and 2,3-DPG | PDB:4L7Y | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [18] |
| PDB Sequence |
HLTPEEKSAV
11 TALWGKVNVD21 EVGGEALGRL31 LVVYPWTQRF41 FESFGDLSTP51 DAVMGNPKVK 61 AHGKKVLGAF71 SDGLAHLDNL81 KGTFATLSEL91 HCDKLHVDPE101 NFRLLGNVLV 111 CVLAHHFGKE121 FTPPVQAAYQ131 KVVAGVANAL141 AHKYH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IRL or .IRL2 or .IRL3 or :3IRL;style chemicals stick;color identity;select .B:82 or .B:139 or .B:143; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2,3-bisphospho-D-glycerate | Ligand Info | |||||
| Structure Description | Crystal structure of deoxygenated hemoglobin in complex with sphingosine phosphate and 2,3-Bisphosphoglycerate | PDB:5KSI | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [5] |
| PDB Sequence |
VHLTPEEKSA
10 VTALWGKVNV20 DEVGGEALGR30 LLVVYPWTQR40 FFESFGDLST50 PDAVMGNPKV 60 KAHGKKVLGA70 FSDGLAHLDN80 LKGTFATLSE90 LHCDKLHVDP100 ENFRLLGNVL 110 VCVLAHHFGK120 EFTPPVQAAY130 QKVVAGVANA140 LAHKYH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DG2 or .DG22 or .DG23 or :3DG2;style chemicals stick;color identity;select .B:1 or .B:82 or .B:143; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Hydrogen Sulfide | Ligand Info | |||||
| Structure Description | STRUCTURAL AND MECHANISTIC INSIGHTS INTO HEMOGLOBIN-CATALYZED HYDROGEN SULFIDE OXIDATION AND THE FATE OF POLYSULFIDE PRODUCTS | PDB:5UCU | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [19] |
| PDB Sequence |
VHLTPEEKSA
10 VTALWGKVNV20 DEVGGEALGR30 LLVVYPWTQR40 FFESFGDLST50 PDAVMGNPKV 60 KAHGKKVLGA70 FSDGLAHLDN80 LKGTFATLSE90 LHCDKLHVDP100 ENFRLLGNVL 110 VCVLAHHFGK120 EFTPPVQAAY130 QKVVAGVANA140 LAHKYH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H2S or .H2S2 or .H2S3 or :3H2S;style chemicals stick;color identity;select .B:28 or .B:42 or .B:63 or .B:67 or .B:92 or .B:106; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-{2-Chloro-4-[3-(1h-Imidazol-2-Yl)propanoyl]phenoxy}butanoic Acid | Ligand Info | |||||
| Structure Description | Deoxyhemoglobin in complex with imidazolylacryloyl derivatives | PDB:4ROM | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [16] |
| PDB Sequence |
VHLTPEEKSA
10 VTALWGKVNV20 DEVGGEALGR30 LLVVYPWTQR40 FFESFGDLST50 PDAVMGNPKV 60 KAHGKKVLGA70 FSDGLAHLDN80 LKGTFATLSE90 LHCDKLHVDP100 ENFRLLGNVL 110 VCVLAHHFGK120 EFTPPVQAAY130 QKVVAGVANA140 LAHKYH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3U8 or .3U82 or .3U83 or :33U8;style chemicals stick;color identity;select .B:37; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 5-[(2r)-2,3-Dihydro-1,4-Benzodioxin-2-Yl]-2,4-Dihydro-3h-1,2,4-Triazole-3-Thione | Ligand Info | |||||
| Structure Description | Qauternary R CO-liganded hemoglobin structure in complex with a thiol containing compound | PDB:4NI1 | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [20] |
| PDB Sequence |
VHLTPEEKSA
10 VTALWGKVNV20 DEVGGEALGR30 LLVVYPWTQR40 FFESFGDLST50 PDAVMGNPKV 60 KAHGKKVLGA70 FSDGLAHLDN80 LKGTFATLSE90 LHCDKLHVDP100 ENFRLLGNVL 110 VCVLAHHFGK120 EFTPPVQAAY130 QKVVAGVANA140 LAHK
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2JX or .2JX2 or .2JX3 or :32JX;style chemicals stick;color identity;select .B:35 or .B:37 or .B:101 or .B:105 or .B:35 or .B:92 or .B:93 or .B:98 or .B:100 or .B:101 or .B:103 or .B:104 or .B:105 or .B:108 or .B:109 or .B:112 or .B:141 or .B:142 or .B:143 or .B:144; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Thiocysteine | Ligand Info | |||||
| Structure Description | Deoxyhemoglobin SH-drug complex | PDB:3WCP | ||||
| Method | X-ray diffraction | Resolution | 1.94 Å | Mutation | No | [21] |
| PDB Sequence |
HLTPEEKSAV
11 TALWGKVNVD21 EVGGEALGRL31 LVVYPWTQRF41 FESFGDLSTP51 DAVMGNPKVK 61 AHGKKVLGAF71 SDGLAHLDNL81 KGTFATLSEL91 HDKLHVDPEN102 FRLLGNVLVC 112 VLAHHFGKEF122 TPPVQAAYQK132 VVAGVANALA142 HKYH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSS or .CSS2 or .CSS3 or :3CSS;style chemicals stick;color identity;select .B:88 or .B:89 or .B:90 or .B:91 or .B:92 or .B:94 or .B:95 or .B:96 or .B:97 or .B:98 or .B:144 or .B:145 or .B:146; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: n-Butyl isocyanide | Ligand Info | |||||
| Structure Description | HIGH RESOLUTION X-RAY STRUCTURES OF MYOGLOBIN-AND HEMOGLOBIN-ALKYL ISOCYANIDE COMPLEXES | PDB:2HBE | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [22] |
| PDB Sequence |
VHLTPEEKSA
10 VTALWGKVNV20 DEVGGEALGR30 LLVVYPWTQR40 FFESFGDLST50 PDAVMGNPKV 60 KAHGKKVLGA70 FSDGLAHLDN80 LKGTFATLSE90 LHCDKLHVDP100 ENFRLLGNVL 110 VCVLAHHFGK120 EFTPPVQAAY130 QKVVAGVANA140 LAHKYH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NBN or .NBN2 or .NBN3 or :3NBN;style chemicals stick;color identity;select .B:24 or .B:27 or .B:28 or .B:31 or .B:42 or .B:63 or .B:64 or .B:67 or .B:92 or .B:106; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Nitrosomethane | Ligand Info | |||||
| Structure Description | Human Hemoglobin Nitromethane Modified | PDB:4M4A | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [23] |
| PDB Sequence |
VHLTPEEKSA
10 VTALWGKVNV20 DEVGGEALGR30 LLVVYPWTQR40 FFESFGDLST50 PDAVMGNPKV 60 KAHGKKVLGA70 FSDGLAHLDN80 LKGTFATLSE90 LHCDKLHVDP100 ENFRLLGNVL 110 VCVLAHHFGK120 EFTPPVQAAY130 QKVVAGVANA140 LAHKYH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NSM or .NSM2 or .NSM3 or :3NSM;style chemicals stick;color identity;select .B:28 or .B:42 or .B:63 or .B:67 or .B:92 or .B:106; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Ethyl isocyanide | Ligand Info | |||||
| Structure Description | HIGH RESOLUTION X-RAY STRUCTURES OF MYOGLOBIN-AND HEMOGLOBIN-ALKYL ISOCYANIDE COMPLEXES | PDB:2HBC | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [24] |
| PDB Sequence |
VHLTPEEKSA
10 VTALWGKVNV20 DEVGGEALGR30 LLVVYPWTQR40 FFESFGDLST50 PDAVMGNPKV 60 KAHGKKVLGA70 FSDGLAHLDN80 LKGTFATLSE90 LHCDKLHVDP100 ENFRLLGNVL 110 VCVLAHHFGK120 EFTPPVQAAY130 QKVVAGVANA140 LAHKYH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ENC or .ENC2 or .ENC3 or :3ENC;style chemicals stick;color identity;select .B:28 or .B:31 or .B:42 or .B:63 or .B:67 or .B:92 or .B:106; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: [3,3'-{(3s,4s)-13-Ethenyl-3,7,12,17-Tetramethyl-8-[(E)-2-Nitroethenyl]-3,4-Dihydroporphyrin-2,18-Diyl-Kappa~4~n~21~,N~22~,N~23~,N~24~}dipropanoato(4-)]iron | Ligand Info | |||||
| Structure Description | R-state human hemoglobin: nitriheme modified | PDB:3OO5 | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [7] |
| PDB Sequence |
VHLTPEEKSA
10 VTALWGKVNV20 DEVGGEALGR30 LLVVYPWTQR40 FFESFGDLST50 PDAVMGNPKV 60 KAHGKKVLGA70 FSDGLAHLDN80 LKGTFATLSE90 LHCDKLHVDP100 ENFRLLGNVL 110 VCVLAHHFGK120 EFTPPVQAAY130 QKVVAGVANA140 LAH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NTE or .NTE2 or .NTE3 or :3NTE;style chemicals stick;color identity;select .B:31 or .B:38 or .B:41 or .B:42 or .B:63 or .B:66 or .B:67 or .B:70 or .B:71 or .B:85 or .B:88 or .B:91 or .B:92 or .B:96 or .B:98 or .B:102 or .B:103 or .B:104 or .B:106 or .B:107 or .B:134 or .B:137 or .B:138 or .B:141; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU31
4.661
THR38
3.842
PHE41
3.000
PHE42
3.219
HIS63
2.806
LYS66
4.072
VAL67
3.989
ALA70
3.641
PHE71
4.074
PHE85
4.572
LEU88
3.511
LEU91
3.882
|
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| Ligand Name: 5-[(2s)-2,3-Dihydro-1,4-Benzodioxin-2-Yl]-2,4-Dihydro-3h-1,2,4-Triazole-3-Thione | Ligand Info | |||||
| Structure Description | Quaternary R3 CO-liganded hemoglobin structure in complex with a thiol containing compound | PDB:4NI0 | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [20] |
| PDB Sequence |
VHLTPEEKSA
10 VTALWGKVNV20 DEVGGEALGR30 LLVVYPWTQR40 FFESFGDLST50 PDAVMGNPKV 60 KAHGKKVLGA70 FSDGLAHLDN80 LKGTFATLSE90 LHCDKLHVDP100 ENFRLLGNVL 110 VCVLAHHFGK120 EFTPPVQAAY130 QKVVAGVANA140 LAHKYH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2P3 or .2P32 or .2P33 or :32P3;style chemicals stick;color identity;select .B:35 or .B:37 or .B:101 or .B:105 or .B:35 or .B:92 or .B:93 or .B:98 or .B:100 or .B:101 or .B:103 or .B:104 or .B:105 or .B:108 or .B:109 or .B:112 or .B:141 or .B:142 or .B:143 or .B:144 or .B:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TYR35
3.698
TRP37
3.593
GLU101
3.602
LEU105
4.009
TYR35
2.643
HIS92
4.643
CYS93
1.933
VAL98
3.678
PRO100
3.130
GLU101
3.091
PHE103
4.131
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|||||
| Ligand Name: N-[(R)-alpha-Methylphenethyl]hydroxylamine | Ligand Info | |||||
| Structure Description | Human Hemoglobin in Complex with Nitrosoamphetamine | PDB:7JJQ | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [25] |
| PDB Sequence |
HLTPEEKSAV
11 TALWGKVNVD21 EVGGEALGRL31 LVVYPWTQRF41 FESFGDLSTP51 DAVMGNPKVK 61 AHGKKVLGAF71 SDGLAHLDNL81 KGTFATLSEL91 HCDKLHVDPE101 NFRLLGNVLV 111 CVLAHHFGKE121 FTPPVQAAYQ131 KVVAGVANAL141 AHKYH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K7M or .K7M2 or .K7M3 or :3K7M;style chemicals stick;color identity;select .B:24 or .B:27 or .B:28 or .B:42 or .B:63 or .B:64 or .B:67 or .B:68 or .B:92 or .B:106 or .B:110; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Methyl isocyanide | Ligand Info | |||||
| Structure Description | HIGH RESOLUTION X-RAY STRUCTURES OF MYOGLOBIN-AND HEMOGLOBIN-ALKYL ISOCYANIDE COMPLEXES | PDB:2HBD | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [26] |
| PDB Sequence |
VHLTPEEKSA
10 VTALWGKVNV20 DEVGGEALGR30 LLVVYPWTQR40 FFESFGDLST50 PDAVMGNPKV 60 KAHGKKVLGA70 FSDGLAHLDN80 LKGTFATLSE90 LHCDKLHVDP100 ENFRLLGNVL 110 VCVLAHHFGK120 EFTPPVQAAY130 QKVVAGVANA140 LAHKYH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MNC or .MNC2 or .MNC3 or :3MNC;style chemicals stick;color identity;select .B:28 or .B:42 or .B:63 or .B:67 or .B:92 or .B:106; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-Propyl Isocyanide | Ligand Info | |||||
| Structure Description | HIGH RESOLUTION X-RAY STRUCTURES OF MYOGLOBIN-AND HEMOGLOBIN-ALKYL ISOCYANIDE COMPLEXES | PDB:2HBF | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [27] |
| PDB Sequence |
VHLTPEEKSA
10 VTALWGKVNV20 DEVGGEALGR30 LLVVYPWTQR40 FFESFGDLST50 PDAVMGNPKV 60 KAHGKKVLGA70 FSDGLAHLDN80 LKGTFATLSE90 LHCDKLHVDP100 ENFRLLGNVL 110 VCVLAHHFGK120 EFTPPVQAAY130 QKVVAGVANA140 LAHKYH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NPN or .NPN2 or .NPN3 or :3NPN;style chemicals stick;color identity;select .B:28 or .B:31 or .B:42 or .B:63 or .B:67 or .B:92 or .B:106; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol | Ligand Info | |||||
| Structure Description | Crystal Structure of Glycated Human Haemoglobin | PDB:3B75 | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [28] |
| PDB Sequence |
VHLTPEEKSA
10 VTALWGKVNV20 DEVGGEALGR30 LLVVYPWTQR40 FFESFGDLST50 PDAVMGNPKV 60 KAHGKKVLGA70 FSDGLAHLDN80 LKGTFATLSE90 LHCDKLHVDP100 ENFRLLGNVL 110 VCVLAHHFGK120 EFTPPVQAAY130 QKVVAGVANA140 LAHKYH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GLC or .GLC2 or .GLC3 or :3GLC;style chemicals stick;color identity;select .B:97 or .B:99 or .B:100 or .B:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: beta-D-fructofuranose | Ligand Info | |||||
| Structure Description | Crystal Structure of Glycated Human Haemoglobin | PDB:3B75 | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [28] |
| PDB Sequence |
VHLTPEEKSA
10 VTALWGKVNV20 DEVGGEALGR30 LLVVYPWTQR40 FFESFGDLST50 PDAVMGNPKV 60 KAHGKKVLGA70 FSDGLAHLDN80 LKGTFATLSE90 LHCDKLHVDP100 ENFRLLGNVL 110 VCVLAHHFGK120 EFTPPVQAAY130 QKVVAGVANA140 LAHKYH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FRU or .FRU2 or .FRU3 or :3FRU;style chemicals stick;color identity;select .B:99 or .B:101; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-(Nitrooxy)ethyl 2-(4-{2-[(3,5-Dimethylphenyl)amino]-2-Oxoethyl}phenoxy)-2-Methylpropanoate | Ligand Info | |||||
| Structure Description | Crystal Structure of Deoxygenated Hemoglobin in Complex with an Allosteric Effector and Nitric Oxide | PDB:5E29 | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [29] |
| PDB Sequence |
HLTPEEKSAV
11 TALWGKVNVD21 EVGGEALGRL31 LVVYPWTQRF41 FESFGDLSTP51 DAVMGNPKVK 61 AHGKKVLGAF71 SDGLAHLDNL81 KGTFATLSEL91 HCDKLHVDPE101 NFRLLGNVLV 111 CVLAHHFGKE121 FTPPVQAAYQ131 KVVAGVANAL141 AHKYH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5JN or .5JN2 or .5JN3 or :35JN;style chemicals stick;color identity;select .B:35 or .B:37 or .B:105 or .B:108; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Mesoheme | Ligand Info | |||||
| Structure Description | Deoxygenated Hb in complex with the allosteric effectors, IRL2500 and 2,3-DPG | PDB:4L7Y | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [18] |
| PDB Sequence |
HLTPEEKSAV
11 TALWGKVNVD21 EVGGEALGRL31 LVVYPWTQRF41 FESFGDLSTP51 DAVMGNPKVK 61 AHGKKVLGAF71 SDGLAHLDNL81 KGTFATLSEL91 HCDKLHVDPE101 NFRLLGNVLV 111 CVLAHHFGKE121 FTPPVQAAYQ131 KVVAGVANAL141 AHKYH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MH0 or .MH02 or .MH03 or :3MH0;style chemicals stick;color identity;select .B:31 or .B:38 or .B:41 or .B:42 or .B:45 or .B:63 or .B:66 or .B:67 or .B:70 or .B:71 or .B:85 or .B:88 or .B:91 or .B:92 or .B:96 or .B:98 or .B:102 or .B:103 or .B:106 or .B:137 or .B:141; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: PROTOPORPHYRIN IX CONTAINING CO | Ligand Info | |||||
| Structure Description | STRUCTURE OF HAEMOGLOBIN IN THE DEOXY QUATERNARY STATE WITH LIGAND BOUND AT THE ALPHA HAEMS | PDB:1COH | ||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | No | [30] |
| PDB Sequence |
VHLTPEEKSA
10 VTALWGKVNV20 DEVGGEALGR30 LLVVYPWTQR40 FFESFGDLST50 PDAVMGNPKV 60 KAHGKKVLGA70 FSDGLAHLDN80 LKGTFATLSE90 LHCDKLHVDP100 ENFRLLGNVL 110 VCVLAHHFGK120 EFTPPVQAAY130 QKVVAGVANA140 LAHKYH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .COH or .COH2 or .COH3 or :3COH;style chemicals stick;color identity;select .B:31 or .B:38 or .B:41 or .B:42 or .B:63 or .B:66 or .B:67 or .B:70 or .B:71 or .B:85 or .B:88 or .B:91 or .B:92 or .B:96 or .B:98 or .B:102 or .B:103 or .B:106 or .B:137 or .B:141; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystallographic characterization of the nitric oxide derivative of R-state human hemoglobin. Nitric Oxide. 2014 May 30;39:46-50. | ||||
| REF 2 | Refinement of a partially oxygenated T state human haemoglobin at 1.5 A resolution. Acta Crystallogr B. 1990 Jun 1;46 ( Pt 3):409-18. | ||||
| REF 3 | Pattern of cavities in globins: the case of human hemoglobin. Biopolymers. 2009 Dec;91(12):1097-107. | ||||
| REF 4 | High-resolution crystal structure of deoxy hemoglobin complexed with a potent allosteric effector. Protein Sci. 2001 May;10(5):951-7. | ||||
| REF 5 | Structural and Functional Insight of Sphingosine 1-Phosphate-Mediated Pathogenic Metabolic Reprogramming in Sickle Cell Disease. Sci Rep. 2017 Nov 10;7(1):15281. | ||||
| REF 6 | Structural and in Vitro Chracterization of Pridyl Derivatives of Benzaldehydes: Highly Potent Antisickling Agents | ||||
| REF 7 | Crystallographic trapping of heme loss intermediates during the nitrite-induced degradation of human hemoglobin. Biochemistry. 2011 Oct 4;50(39):8323-32. | ||||
| REF 8 | Crystallographic analysis of the interaction of nitric oxide with quaternary-T human hemoglobin. Biochemistry. 2004 Jan 13;43(1):118-32. | ||||
| REF 9 | Design, Synthesis, and Antisickling Investigation of a Nitric Oxide-Releasing Prodrug of 5HMF for the Treatment of Sickle Cell Disease. Biomolecules. 2022 May 12;12(5):696. | ||||
| REF 10 | Improving the antisickling activity of furaldehyde | ||||
| REF 11 | A new strategy for structure determination of large proteins in solution without deuteration. Nat Methods. 2006 Nov;3(11):931-7. | ||||
| REF 12 | Direct observation of ligand migration within human hemoglobin at work. Proc Natl Acad Sci U S A. 2020 Mar 3;117(9):4741-4748. | ||||
| REF 13 | Biodistribution PET/CT Study of Hemoglobin-DFO-(89)Zr Complex in Healthy and Lung Tumor-Bearing Mice. Int J Mol Sci. 2020 Jul 15;21(14):4991. | ||||
| REF 14 | A Triazole Disulfide Compound Increases the Affinity of Hemoglobin for Oxygen and Reduces the Sickling of Human Sickle Cells. Mol Pharm. 2018 May 7;15(5):1954-1963. | ||||
| REF 15 | R-state haemoglobin with low oxygen affinity: crystal structures of deoxy human and carbonmonoxy horse haemoglobin bound to the effector molecule L35. J Mol Biol. 2006 Feb 24;356(3):790-801. | ||||
| REF 16 | Identification of a novel class of covalent modifiers of hemoglobin as potential antisickling agents. Org Biomol Chem. 2015 Jun 14;13(22):6353-70. | ||||
| REF 17 | Magnesium(II) and zinc(II)-protoporphyrin IX's stabilize the lowest oxygen affinity state of human hemoglobin even more strongly than deoxyheme. J Mol Biol. 1999 Oct 8;292(5):1121-36. | ||||
| REF 18 | Novel small molecule modulators of human hemoglobin oxygen binding identified by small molecule microarray screening | ||||
| REF 19 | Structural and Mechanistic Insights into Hemoglobin-catalyzed Hydrogen Sulfide Oxidation and the Fate of Polysulfide Products. J Biol Chem. 2017 Mar 31;292(13):5584-5592. | ||||
| REF 20 | Identification of a small molecule that increases hemoglobin oxygen affinity and reduces SS erythrocyte sickling. ACS Chem Biol. 2014 Oct 17;9(10):2318-25. | ||||
| REF 21 | Deoxyhemoglobin SH-drug complex | ||||
| REF 22 | High Resolution X-Ray Structures of Myoglobin-and Hemoglobin-Alkyl Isocyanide Complexes | ||||
| REF 23 | Degradation of human hemoglobin by organic C-nitroso compounds. Chem Commun (Camb). 2013 Dec 11;49(95):11179-81. | ||||
| REF 24 | High Resolution X-Ray Structures of Myoglobin-and Hemoglobin-Alkyl Isocyanide Complexes | ||||
| REF 25 | The nitrosoamphetamine metabolite is accommodated in the active site of human hemoglobin: Spectroscopy and crystal structure. J Inorg Biochem. 2020 Dec;213:111262. | ||||
| REF 26 | High Resolution X-Ray Structures of Myoglobin-and Hemoglobin-Alkyl Isocyanide Complexes | ||||
| REF 27 | High Resolution X-Ray Structures of Myoglobin-and Hemoglobin-Alkyl Isocyanide Complexes | ||||
| REF 28 | The effect of hemoglobin glycosylation on diabete linked oxidative stress | ||||
| REF 29 | Design, Synthesis, and Investigation of Novel Nitric Oxide (NO)-Releasing Prodrugs as Drug Candidates for the Treatment of Ischemic Disorders: Insights into NO-Releasing Prodrug Biotransformation and Hemoglobin-NO Biochemistry. Biochemistry. 2015 Dec 15;54(49):7178-92. | ||||
| REF 30 | Structure of haemoglobin in the deoxy quaternary state with ligand bound at the alpha haems. J Mol Biol. 1989 Apr 20;206(4):723-36. | ||||
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