Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T25703 | Target Info | |||
| Target Name | Heme oxygenase 1 (HMOX1) | ||||
| Synonyms | HO1; HO-1; HO | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | HMOX1 | ||||
| Biochemical Class | Paired donor oxygen oxidoreductase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Nitric oxide | Ligand Info | |||||
| Structure Description | Crystal Structures of the Ferric, Ferrous and Ferrous-NO Forms of the Asp140Ala Mutant of Human Heme Oxygenase-1: Catalytic Implications | PDB:1OZW | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [1] |
| PDB Sequence |
PQDLSEALKE
19 ATKEVHTQAE29 NAEFMRNFQK39 GQVTRDGFKL49 VMASLYHIYV59 ALEEEIERNK 69 ESPVFAPVYF79 PEELHRKAAL89 EQDLAFWYGP99 RWQEVIPYTP109 AMQRYVKRLH 119 EVGRTEPELL129 VAHAYTRYLG139 DLSGGQVLKK149 IAQKALDLPS159 SGEGLAFFTF 169 PNIASATKFK179 QLYRSRMNSL189 EMTPAVRQRV199 IEEAKTAFLL209 NIQLFEELQE 219 LLTH
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Biliverdine Ix Alpha | Ligand Info | |||||
| Structure Description | Crystal structure of human heme oxygenase 1 H25R with biliverdin bound | PDB:5BTQ | ||||
| Method | X-ray diffraction | Resolution | 2.08 Å | Mutation | Yes | [2] |
| PDB Sequence |
QDLSEALKEA
20 TKEVRTQAEN30 AEFMRNFQKG40 QVTRDGFKLV50 MASLYHIYVA60 LEEEIERNKE 70 SPVFAPVYFP80 EELHRKAALE90 QDLAFWYGPR100 WQEVIPYTPA110 MQRYVKRLHE 120 VGRTEPELLV130 AHAYTRYLGD140 LSGGQVLKKI150 AQKALDLPSS160 GEGLAFFTFP 170 NIASATKFKQ180 LYRSRMNSLE190 MTPAVRQRVI200 EEAKTAFLLN210 IQLFEELQEL 220 LTH
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SER14
4.372
LYS18
3.839
ARG25
3.171
ALA28
3.516
GLU29
3.448
MET34
3.684
GLN38
3.911
TYR134
2.900
THR135
3.763
ARG136
4.512
LEU138
3.982
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 1-(adamantan-1-yl)-2-(1H-imidazol-1-yl)ethanone | Ligand Info | |||||
| Structure Description | Crystal Structure of Human Heme Oxygenase-1 in Complex with 1-(Adamantan-1-yl)-2-(1H-imidazol-1-yl)ethanone | PDB:3CZY | ||||
| Method | X-ray diffraction | Resolution | 1.54 Å | Mutation | No | [3] |
| PDB Sequence |
PQDLSEALKE
19 ATKEVHTQAE29 NAEFMRNFQK39 GQVTRDGFKL49 VMASLYHIYV59 ALEEEIERNK 69 ESPVFAPVYF79 PEELHRKAAL89 EQDLAFWYGP99 RWQEVIPYTP109 AMQRYVKRLH 119 EVGRTEPELL129 VAHAYTRYLG139 DLSGGQVLKK149 IAQKALDLPS159 SGEGLAFFTF 169 PNIASATKFK179 QLYRSRMNSL189 EMTPAVRQRV199 IEEAKTAFLL209 NIQLFEELQE 219 LLTH
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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 .AD8 or .AD82 or .AD83 or :3AD8;style chemicals stick;color identity;select .A:25 or .A:34 or .A:37 or .A:50 or .A:54 or .A:136 or .A:139 or .A:140 or .A:142 or .A:143 or .A:147 or .A:166 or .A:167 or .A:214; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 12-Phenylheme | Ligand Info | |||||
| Structure Description | Human Heme Oxygenase Oxidation of alpha- and gamma-meso-phenylhemes | PDB:1T5P | ||||
| Method | X-ray diffraction | Resolution | 2.11 Å | Mutation | No | [4] |
| PDB Sequence |
PQDLSEALKE
19 ATKEVHTQAE29 NATRDGFKLV50 MASLYHIYVA60 LEEEIERNKE70 SPVFAPVYFP 80 EELHRKAALE90 QDLAFWYGPR100 WQEVIPYTPA110 MQRYVKRLHE120 VGRTEPELLV 130 AHAYTRYLGD140 LSGGQVLKKI150 AQKALDLPSS160 GEGLAFFTFP170 NIASATKFKQ 180 LYRSRMNSLE190 MTPAVRQRVI200 EEAKTAFLLN210 IQLFEELQEL220 LTH |
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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 .1FH or .1FH2 or .1FH3 or :31FH;style chemicals stick;color identity;select .A:18 or .A:21 or .A:25 or .A:26 or .A:27 or .A:28 or .A:29 or .A:134 or .A:135 or .A:136 or .A:138 or .A:139 or .A:142 or .A:143 or .A:146 or .A:147 or .A:179 or .A:183 or .A:206 or .A:207 or .A:210 or .A:214; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LYS18
3.327
THR21
4.661
HIS25
2.329
THR26
4.492
GLN27
3.108
ALA28
3.324
GLU29
4.809
TYR134
2.495
THR135
3.298
ARG136
4.422
LEU138
3.998
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| Ligand Name: 2-phenylheme | Ligand Info | |||||
| Structure Description | Human Heme Oxygenase Oxidatition of alpha- and gamma-meso-Phenylhemes | PDB:1S13 | ||||
| Method | X-ray diffraction | Resolution | 2.29 Å | Mutation | No | [4] |
| PDB Sequence |
PQDLSEALKE
19 ATKEVHTQAE29 NAEFMRNFQK39 GQVTRDGFKL49 VMASLYHIYV59 ALEEEIERNK 69 ESPVFAPVYF79 PEELHRKAAL89 EQDLAFWYGP99 RWQEVIPYTP109 AMQRYVKRLH 119 EVGRTEPELL129 VAHAYTRYLG139 DLSGGQVLKK149 IAQKALDLPS159 SGEGLAFFTF 169 PNIASATKFK179 QLYRSRMNSL189 EMTPAVRQRV199 IEEAKTAFLL209 NIQLFEELQE 219 LLTH
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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 .2FH or .2FH2 or .2FH3 or :32FH;style chemicals stick;color identity;select .A:14 or .A:18 or .A:25 or .A:28 or .A:29 or .A:34 or .A:38 or .A:114 or .A:134 or .A:135 or .A:136 or .A:138 or .A:139 or .A:142 or .A:143 or .A:146 or .A:147 or .A:179 or .A:183 or .A:207 or .A:210 or .A:214; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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SER14
4.548
LYS18
3.519
HIS25
2.308
ALA28
3.896
GLU29
4.769
MET34
3.172
GLN38
3.558
TYR114
4.920
TYR134
2.645
THR135
3.235
ARG136
4.041
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| Ligand Name: 1-(3-Imidazol-1-ylpropyl)-5-(2-methylpropyl)-4-phenyl-imidazole | Ligand Info | |||||
| Structure Description | Heme oxygenase 1 in complex with inhibitor | PDB:6EHA | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [5] |
| PDB Sequence |
PQDLSEALKE
19 ATKEVHTQAE29 NAEFMRNFQK39 GQVTRDGFKL49 VMASLYHIYV59 ALEEEIERNK 69 ESPVFAPVYF79 PEELHRKAAL89 EQDLAFWYGP99 RWQEVIPYTP109 AMQRYVKRLH 119 EVGRTEPELL129 VAHAYTRYLG139 DLSGGQVLKK149 IAQKALDLPS159 SGEGLAFFTF 169 PNIASATKFK179 QLYRSRMNSL189 EMTPAVRQRV199 IEEAKTAFLL209 NIQLFEELQE 219 LLTH
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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 .B5B or .B5B2 or .B5B3 or :3B5B;style chemicals stick;color identity;select .A:25 or .A:34 or .A:37 or .A:47 or .A:50 or .A:53 or .A:54 or .A:57 or .A:136 or .A:139 or .A:140 or .A:142 or .A:143 or .A:144 or .A:147 or .A:166 or .A:167 or .A:210 or .A:213 or .A:214 or .A:217; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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HIS25
4.191
MET34
3.814
PHE37
3.355
PHE47
4.871
VAL50
3.667
SER53
3.874
LEU54
4.107
ILE57
4.143
ARG136
2.770
GLY139
3.150
ASP140
4.021
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| Ligand Name: Iron-octaethylporphyrin | Ligand Info | |||||
| Structure Description | Crystal structures of ferrous and ferrous-NO forms of verdoheme in a complex with human heme oxygenase-1: catalytic implications for heme cleavage | PDB:1TWR | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [6] |
| PDB Sequence |
PQDLSEALKE
19 ATKEVHTQAE29 NAEFMRNFQK39 GQVTRDGFKL49 VMASLYHIYV59 ALEEEIERNK 69 ESPVFAPVYF79 PEELHRKAAL89 EQDLAFWYGP99 RWQEVIPYTP109 AMQRYVKRLH 119 EVGRTEPELL129 VAHAYTRYLG139 DLSGGQVLKK149 IAQKALDLPS159 SGEGLAFFTF 169 PNIASATKFK179 QLYRSRMNSL189 EMTPAVRQRV199 IEEAKTAFLL209 NIQLFEELQE 219 LLTH
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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 .VER or .VER2 or .VER3 or :3VER;style chemicals stick;color identity;select .A:14 or .A:18 or .A:25 or .A:28 or .A:29 or .A:34 or .A:38 or .A:134 or .A:135 or .A:136 or .A:138 or .A:139 or .A:142 or .A:143 or .A:147 or .A:183 or .A:206 or .A:207 or .A:210 or .A:214; 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: 4-Phenyl-1-[1,2,4]triazol-1-yl-butan-2-one | Ligand Info | |||||
| Structure Description | X-Ray Crystal Structure of Human Heme Oxygenase-1 in Complex with 4-Phenyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone | PDB:3K4F | ||||
| Method | X-ray diffraction | Resolution | 2.17 Å | Mutation | No | [7] |
| PDB Sequence |
PQDLSEALKE
19 ATKEVHTQAE29 NAEFMRNFQK39 GQVTRDGFKL49 VMASLYHIYV59 ALEEEIERNK 69 ESPVFAPVYF79 PEELHRKAAL89 EQDLAFWYGP99 RWQEVIPYTP109 AMQRYVKRLH 119 EVGRTEPELL129 VAHAYTRYLG139 DLSGGQVLKK149 IAQKALDLPS159 SGEGLAFFTF 169 PNIASATKFK179 QLYRSRMNSL189 EMTPAVRQRV199 IEEAKTAFLL209 NIQLFEELQE 219 LLTH
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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 .Q86 or .Q862 or .Q863 or :3Q86;style chemicals stick;color identity;select .A:25 or .A:33 or .A:34 or .A:37 or .A:47 or .A:50 or .A:54 or .A:136 or .A:139 or .A:140 or .A:142 or .A:143 or .A:144 or .A:147 or .A:166 or .A:167 or .A:214; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-(1h-Imidazol-1-Yl)-4,4-Diphenylbutan-2-One | Ligand Info | |||||
| Structure Description | X-Ray Crystal Structure of Human Heme Oxygenase-1 in Complex with 1-(1H-imidazol-1-yl)-4,4-diphenyl-2 butanone | PDB:3TGM | ||||
| Method | X-ray diffraction | Resolution | 2.85 Å | Mutation | No | [8] |
| PDB Sequence |
PQDLSEALKE
19 ATKEVHTQAE29 NAEFMRNFQK39 GQVTRDGFKL49 VMASLYHIYV59 ALEEEIERNK 69 ESPVFAPVYF79 PEELHRKAAL89 EQDLAFWYGP99 RWQEVIPYTP109 AMQRYVKRLH 119 EVGRTEPELL129 VAHAYTRYLG139 DLSGGQVLKK149 IAQKALDLPS159 SGEGLAFFTF 169 PNIASATKFK179 QLYRSRMNSL189 EMTPAVRQRV199 IEEAKTAFLL209 NIQLFEELQE 219 LLTH
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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 .3TG or .3TG2 or .3TG3 or :33TG;style chemicals stick;color identity;select .A:25 or .A:34 or .A:37 or .A:47 or .A:50 or .A:54 or .A:57 or .A:136 or .A:139 or .A:140 or .A:142 or .A:143 or .A:144 or .A:147 or .A:166 or .A:167 or .A:210 or .A:213 or .A:214; 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 | Crystal structures of the ferric, ferrous, and ferrous-NO forms of the Asp140Ala mutant of human heme oxygenase-1: catalytic implications. J Mol Biol. 2003 Jul 11;330(3):527-38. | ||||
| REF 2 | In-Cell Enzymology To Probe His-Heme Ligation in Heme Oxygenase Catalysis. Biochemistry. 2016 Aug 30;55(34):4836-49. | ||||
| REF 3 | X-ray crystal structure of human heme oxygenase-1 in complex with 1-(adamantan-1-yl)-2-(1H-imidazol-1-yl)ethanone: a common binding mode for imidazole-based heme oxygenase-1 inhibitors. J Med Chem. 2008 Oct 9;51(19):5943-52. | ||||
| REF 4 | Human heme oxygenase oxidation of 5- and 15-phenylhemes. J Biol Chem. 2004 Oct 8;279(41):42593-604. | ||||
| REF 5 | Development and characterization of a new inhibitor of heme oxygenase activity for cancer treatment. Arch Biochem Biophys. 2019 Aug 15;671:130-142. | ||||
| REF 6 | Crystal structures of ferrous and ferrous-NO forms of verdoheme in a complex with human heme oxygenase-1: catalytic implications for heme cleavage. J Inorg Biochem. 2004 Nov;98(11):1686-95. | ||||
| REF 7 | Heme oxygenase inhibition by 2-oxy-substituted 1-azolyl-4-phenylbutanes: effect of variation of the azole moiety. X-ray crystal structure of human heme oxygenase-1 in complex with 4-phenyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone. Chem Biol Drug Des. 2010 Jan;75(1):68-90. | ||||
| REF 8 | A novel, "double-clamp" binding mode for human heme oxygenase-1 inhibition. PLoS One. 2012;7(1):e29514. | ||||
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