Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T52133 | Target Info | |||
| Target Name | Aspartate beta-hydroxylase (ASPH) | ||||
| Synonyms | Peptideaspartate betadioxygenase; Aspartyl/asparaginyl betahydroxylase; ASPH; ASP betahydroxylase | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | ASPH | ||||
| Biochemical Class | Paired donor oxygen oxidoreductase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: 2-(carboxymethylamino)-2-oxoacetic acid | Ligand Info | |||||
| Structure Description | Aspartyl/Asparaginyl beta-hydroxylase (AspH) H679A in complex with Mn, NOG and Factor X peptide fragment (39mer-4Ser) | PDB:6Q9F | ||||
| Method | X-ray diffraction | Resolution | 1.63 Å | Mutation | Yes | [1] |
| PDB Sequence |
KPKLLNKFDK
339 TIKAELDAAE349 KLRKRGKIEE359 AVNAFKELVR369 KYPQSPRARY379 GKAQCEDDLA 389 EKRRSNEVLR399 GAIETYQEVA409 SLPDVPADLL419 KLSLKRRSDR429 QQFLGHMRGS 439 LLTLQRLVQL449 FPNDTSLKND459 LGVGYLLIGD469 NDNAKKVYEE479 VLSVTPNDGF 489 AKVHYGFILK499 AQNKIAESIP509 YLKEGIESGD519 PGTDDGRFYF529 HLGDAMQRVG 539 NKEAYKWYEL549 GHKRGHFASV559 WQRSLYNVNG569 LKAQPWWTPK579 ETGYTELVKS 589 LERNWKLIRD599 EGLAVMDKAK609 GLFLPEDENL619 REKGDWSQFT629 LWQQGRRNEN 639 ACKGAPKTCT649 LLEKFPETTG659 CRRGQIKYSI669 MHPGTHVWPA679 TGPTNCRLRM 689 HLGLVIPKEG699 CKIRCANETK709 TWEEGKVLIF719 DDSFEHEVWQ729 DASSFRLIFI 739 VDVWHPELTP749 QQRRSLPAI
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Propanoic acid | Ligand Info | |||||
| Structure Description | Aspartyl/Asparaginyl beta-hydroxylase (AspH) H725A in complex with Factor X peptide fragment (39mer-4Ser) | PDB:7E6J | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [2] |
| PDB Sequence |
KPKLLNKFDK
339 TIKAELDAAE349 KLRKRGKIEE359 AVNAFKELVR369 KYPQSPRARY379 GKAQCEDDLA 389 EKRRSNEVLR399 GAIETYQEVA409 SLPDVPADLL419 KLSLKRRSDR429 QQFLGHMRGS 439 LLTLQRLVQL449 FPNDTSLKND459 LGVGYLLIGD469 NDNAKKVYEE479 VLSVTPNDGF 489 AKVHYGFILK499 AQNKIAESIP509 YLKEGIESGD519 PGTDDGRFYF529 HLGDAMQRVG 539 NKEAYKWYEL549 GHKRGHFASV559 WQRSLYNVNG569 LKAQPWWTPK579 ETGYTELVKS 589 LERNWKLIRD599 EGLAVMDKAK609 GLFLPEDENL619 REKGDWSQFT629 LWQQGRRNEN 639 ACKGAPKTCT649 LLEKFPETTG659 CRRGQIKYSI669 MHPGTHVWPH679 TGPTNCRLRM 689 HLGLVIPKEG699 CKIRCANETK709 TWEEGKVLIF719 DDSFEAEVWQ729 DASSFRLIFI 739 VDVWHPELTP749 QQRRSLPAI
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| Ligand Name: Alpha-ketoglutaric acid | Ligand Info | |||||
| Structure Description | Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese and 2-oxoglutarate | PDB:6YYU | ||||
| Method | X-ray diffraction | Resolution | 2.11 Å | Mutation | No | [3] |
| PDB Sequence |
PKLLNKFDKT
340 IKAELDAAEK350 LRKRGKIEEA360 VNAFKELVRK370 YPQSPRARYG380 KAQCEDDLAE 390 KRRSNEVLRG400 AIETYQEVAS410 LPDVPADLLK420 LSLKRRSDRQ430 QFLGHMRGSL 440 LTLQRLVQLF450 PNDTSLKNDL460 GVGYLLIGDN470 DNAKKVYEEV480 LSVTPNDGFA 490 KVHYGFILKA500 QNKIAESIPY510 LKEGIESGDP520 GTDDGRFYFH530 LGDAMQRVGN 540 KEAYKWYELG550 HKRGHFASVW560 QRSLYNVNGL570 KAQPWWTPKE580 TGYTELVKSL 590 ERNWKLIRDE600 GLAVMDKAKG610 LFLPEDENLR620 EKGDWSQFTL630 WQQGRRNENA 640 CKGAPKTCTL650 LEKFPETTGC660 RRGQIKYSIM670 HPGTHVWPHT680 GPTNCRLRMH 690 LGLVIPKEGC700 KIRCANETKT710 WEEGKVLIFD720 DSFEHEVWQD730 ASSFRLIFIV 740 DVWHPELTPQ750 QRRSLPA
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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 .AKG or .AKG2 or .AKG3 or :3AKG;style chemicals stick;color identity;select .A:615 or .A:625 or .A:668 or .A:670 or .A:676 or .A:679 or .A:686 or .A:688 or .A:690 or .A:702 or .A:711 or .A:719 or .A:721 or .A:725 or .A:727 or .A:735 or .A:737 or .A:739; 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: Pyridine-2,4-dicarboxylic acid | Ligand Info | |||||
| Structure Description | Aspartyl/Asparaginyl beta-hydroxylase (AspH)oxygenase and TPR domains in complex with manganese, 2,4-pyridine dicarboxylate and factor X substrate peptide fragment(39mer-4Ser) | PDB:5JTC | ||||
| Method | X-ray diffraction | Resolution | 2.24 Å | Mutation | No | [4] |
| PDB Sequence |
KPKLLNKFDK
339 TIKAELDAAE349 KLRKRGKIEE359 AVNAFKELVR369 KYPQSPRARY379 GKAQCEDDLA 389 EKRRSNEVLR399 GAIETYQEVA409 SLPDVPADLL419 KLSLKRRSDR429 QQFLGHMRGS 439 LLTLQRLVQL449 FPNDTSLKND459 LGVGYLLIGD469 NDNAKKVYEE479 VLSVTPNDGF 489 AKVHYGFILK499 AQNKIAESIP509 YLKEGIESGD519 PGTDDGRFYF529 HLGDAMQRVG 539 NKEAYKWYEL549 GHKRGHFASV559 WQRSLYNVNG569 LKAQPWWTPK579 ETGYTELVKS 589 LERNWKLIRD599 EGLAVMDKAK609 GLFLPEDENL619 REKGDWSQFT629 LWQQGRRNEN 639 ACKGAPKTCT649 LLEKFPETTG659 CRRGQIKYSI669 MHPGTHVWPH679 TGPTNCRLRM 689 HLGLVIPKEG699 CKIRCANETK709 TWEEGKVLIF719 DDSFEHEVWQ729 DASSFRLIFI 739 VDVWHPELTP749 QQRRSLPAI
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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 .PD2 or .PD22 or .PD23 or :3PD2;style chemicals stick;color identity;select .A:625 or .A:668 or .A:670 or .A:676 or .A:679 or .A:688 or .A:690 or .A:711 or .A:719 or .A:721 or .A:725 or .A:727 or .A:735 or .A:737 or .A:739; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: D-Alanine | Ligand Info | |||||
| Structure Description | Aspartyl/Asparaginyl beta-hydroxylase (AspH)oxygenase and TPR domains in complex with manganese, N-oxalylglycine and cyclic peptide substrate mimic of factor X | PDB:6RK9 | ||||
| Method | X-ray diffraction | Resolution | 2.29 Å | Mutation | No | [5] |
| PDB Sequence |
KPKLLNKFDK
339 TIKAELDAAE349 KLRKRGKIEE359 AVNAFKELVR369 KYPQSPRARY379 GKAQCEDDLA 389 EKRRSNEVLR399 GAIETYQEVA409 SLPDVPADLL419 KLSLKRRSDR429 QQFLGHMRGS 439 LLTLQRLVQL449 FPNDTSLKND459 LGVGYLLIGD469 NDNAKKVYEE479 VLSVTPNDGF 489 AKVHYGFILK499 AQNKIAESIP509 YLKEGIESGD519 PGTDDGRFYF529 HLGDAMQRVG 539 NKEAYKWYEL549 GHKRGHFASV559 WQRSLYNVNG569 LKAQPWWTPK579 ETGYTELVKS 589 LERNWKLIRD599 EGLAVMDKAK609 GLFLPEDENL619 REKGDWSQFT629 LWQQGRRNEN 639 ACKGAPKTCT649 LLEKFPETTG659 CRRGQIKYSI669 MHPGTHVWPH679 TGPTNCRLRM 689 HLGLVIPKEG699 CKIRCANETK709 TWEEGKVLIF719 DDSFEHEVWQ729 DASSFRLIFI 739 VDVWHPELTP749 QQRRSLPAI
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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 .DAL or .DAL2 or .DAL3 or :3DAL;style chemicals stick;color identity;select .A:617 or .A:682 or .A:758; 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~{R})-3-methyl-2-oxidanylidene-pentanedioic acid | Ligand Info | |||||
| Structure Description | Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 3-methyl-2-oxoglutarate, and factor X substrate peptide fragment(39mer-4Ser) | PDB:6YYX | ||||
| Method | X-ray diffraction | Resolution | 1.53 Å | Mutation | Yes | [3] |
| PDB Sequence |
KPKLLNKFDK
339 TIKAELDAAE349 KLRKRGKIEE359 AVNAFKELVR369 KYPQSPRARY379 GKAQCEDDLA 389 EKRRSNEVLR399 GAIETYQEVA409 SLPDVPADLL419 KLSLKRRSDR429 QQFLGHMRGS 439 LLTLQRLVQL449 FPNDTSLKND459 LGVGYLLIGD469 NDNAKKVYEE479 VLSVTPNDGF 489 AKVHYGFILK499 AQNKIAESIP509 YLKEGIESGD519 PGTDDGRFYF529 HLGDAMQRVG 539 NKEAYKWYEL549 GHKRGHFASV559 WQRSLYNVNG569 LKAQPWWTPK579 ETGYTELVKS 589 LERNWKLIRD599 EGLAVMDKAK609 GLFLPEDENL619 REKGDWSQFT629 LWQQGRRNEN 639 ACKGAPKTCT649 LLEKFPETTG659 CRRGQIKYSI669 MHPGTHVWPH679 TGPTNCRLRM 689 HLGLVIPKEG699 CKIRCANETK709 TWEEGKVLIF719 DDSFEHEVWQ729 DASSFRLIFI 739 VDVWHPELTP749 QQRRSLPAI
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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 .Q1Z or .Q1Z2 or .Q1Z3 or :3Q1Z;style chemicals stick;color identity;select .A:619 or .A:625 or .A:627 or .A:668 or .A:670 or .A:676 or .A:679 or .A:688 or .A:690 or .A:702 or .A:711 or .A:719 or .A:721 or .A:725 or .A:726 or .A:727 or .A:735 or .A:737 or .A:739; 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: 3-Fluoranylpyridine-2,4-dicarboxylic acid | Ligand Info | |||||
| Structure Description | Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 3-fluoropyridine-2,4-dicarboxylic acid, and factor X substrate peptide fragment (39mer-4Ser) | PDB:7BMI | ||||
| Method | X-ray diffraction | Resolution | 1.66 Å | Mutation | No | [6] |
| PDB Sequence |
KPKLLNKFDK
339 TIKAELDAAE349 KLRKRGKIEE359 AVNAFKELVR369 KYPQSPRARY379 GKAQCEDDLA 389 EKRRSNEVLR399 GAIETYQEVA409 SLPDVPADLL419 KLSLKRRSDR429 QQFLGHMRGS 439 LLTLQRLVQL449 FPNDTSLKND459 LGVGYLLIGD469 NDNAKKVYEE479 VLSVTPNDGF 489 AKVHYGFILK499 AQNKIAESIP509 YLKEGIESGD519 PGTDDGRFYF529 HLGDAMQRVG 539 NKEAYKWYEL549 GHKRGHFASV559 WQRSLYNVNG569 LKAQPWWTPK579 ETGYTELVKS 589 LERNWKLIRD599 EGLAVMDKAK609 GLFLPEDENL619 REKGDWSQFT629 LWQQGRRNEN 639 ACKGAPKTCT649 LLEKFPETTG659 CRRGQIKYSI669 MHPGTHVWPH679 TGPTNCRLRM 689 HLGLVIPKEG699 CKIRCANETK709 TWEEGKVLIF719 DDSFEHEVWQ729 DASSFRLIFI 739 VDVWHPELTP749 QQRRSLPAI
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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 .U4B or .U4B2 or .U4B3 or :3U4B;style chemicals stick;color identity;select .A:619 or .A:625 or .A:627 or .A:668 or .A:670 or .A:676 or .A:679 or .A:686 or .A:688 or .A:690 or .A:702 or .A:711 or .A:719 or .A:721 or .A:725 or .A:726 or .A:727 or .A:735 or .A:737 or .A:739; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU619
4.697
TRP625
3.072
GLN627
4.207
SER668
1.900
MET670
2.404
VAL676
2.292
HIS679
1.996
ARG686
4.905
ARG688
2.004
HIS690
2.033
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| Ligand Name: 5-Fluoropyridine-2,4-dicarboxylic acid | Ligand Info | |||||
| Structure Description | Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 5-fluoropyridine-2,4-dicarboxylic acid, and factor X substrate peptide fragment (39mer-4Ser) | PDB:7BMJ | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [6] |
| PDB Sequence |
KPKLLNKFDK
339 TIKAELDAAE349 KLRKRGKIEE359 AVNAFKELVR369 KYPQSPRARY379 GKAQCEDDLA 389 EKRRSNEVLR399 GAIETYQEVA409 SLPDVPADLL419 KLSLKRRSDR429 QQFLGHMRGS 439 LLTLQRLVQL449 FPNDTSLKND459 LGVGYLLIGD469 NDNAKKVYEE479 VLSVTPNDGF 489 AKVHYGFILK499 AQNKIAESIP509 YLKEGIESGD519 PGTDDGRFYF529 HLGDAMQRVG 539 NKEAYKWYEL549 GHKRGHFASV559 WQRSLYNVNG569 LKAQPWWTPK579 ETGYTELVKS 589 LERNWKLIRD599 EGLAVMDKAK609 GLFLPEDENL619 REKGDWSQFT629 LWQQGRRNEN 639 ACKGAPKTCT649 LLEKFPETTG659 CRRGQIKYSI669 MHPGTHVWPH679 TGPTNCRLRM 689 HLGLVIPKEG699 CKIRCANETK709 TWEEGKVLIF719 DDSFEHEVWQ729 DASSFRLIFI 739 VDVWHPELTP749 QQRRSLPAI
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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 .U4Q or .U4Q2 or .U4Q3 or :3U4Q;style chemicals stick;color identity;select .A:619 or .A:625 or .A:627 or .A:666 or .A:668 or .A:670 or .A:676 or .A:679 or .A:686 or .A:688 or .A:690 or .A:702 or .A:711 or .A:719 or .A:721 or .A:725 or .A:727 or .A:735 or .A:737 or .A:739; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU619
4.731
TRP625
3.085
GLN627
4.689
LYS666
4.337
SER668
1.799
MET670
2.457
VAL676
2.455
HIS679
1.917
ARG686
4.973
ARG688
1.929
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| Ligand Name: (3~{R})-3-ethyl-2-oxidanylidene-pentanedioic acid | Ligand Info | |||||
| Structure Description | Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 3-ethyl-2-oxoglutarate, and factor X substrate peptide fragment(39mer-4Ser) | PDB:6Z6Q | ||||
| Method | X-ray diffraction | Resolution | 1.81 Å | Mutation | Yes | [3] |
| PDB Sequence |
KPKLLNKFDK
339 TIKAELDAAE349 KLRKRGKIEE359 AVNAFKELVR369 KYPQSPRARY379 GKAQCEDDLA 389 EKRRSNEVLR399 GAIETYQEVA409 SLPDVPADLL419 KLSLKRRSDR429 QQFLGHMRGS 439 LLTLQRLVQL449 FPNDTSLKND459 LGVGYLLIGD469 NDNAKKVYEE479 VLSVTPNDGF 489 AKVHYGFILK499 AQNKIAESIP509 YLKEGIESGD519 PGTDDGRFYF529 HLGDAMQRVG 539 NKEAYKWYEL549 GHKRGHFASV559 WQRSLYNVNG569 LKAQPWWTPK579 ETGYTELVKS 589 LERNWKLIRD599 EGLAVMDKAK609 GLFLPEDENL619 REKGDWSQFT629 LWQQGRRNEN 639 ACKGAPKTCT649 LLEKFPETTG659 CRRGQIKYSI669 MHPGTHVWPH679 TGPTNCRLRM 689 HLGLVIPKEG699 CKIRCANETK709 TWEEGKVLIF719 DDSFEHEVWQ729 DASSFRLIFI 739 VDVWHPELTP749 QQRRSLPAI
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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 .QA8 or .QA82 or .QA83 or :3QA8;style chemicals stick;color identity;select .A:619 or .A:625 or .A:627 or .A:668 or .A:670 or .A:676 or .A:679 or .A:686 or .A:688 or .A:690 or .A:702 or .A:711 or .A:719 or .A:721 or .A:725 or .A:726 or .A:727 or .A:735 or .A:737 or .A:739; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU619
4.867
TRP625
2.093
GLN627
3.668
SER668
2.260
MET670
2.197
VAL676
2.088
HIS679
1.792
ARG686
4.922
ARG688
1.827
HIS690
2.036
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| Ligand Name: N-oxalyl-alpha-methylalanine | Ligand Info | |||||
| Structure Description | Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, N-oxalyl-alpha-methylalanine, and factor X substrate peptide fragment(39mer-4Ser) | PDB:6Z6R | ||||
| Method | X-ray diffraction | Resolution | 2.13 Å | Mutation | Yes | [3] |
| PDB Sequence |
KPKLLNKFDK
339 TIKAELDAAE349 KLRKRGKIEE359 AVNAFKELVR369 KYPQSPRARY379 GKAQCEDDLA 389 EKRRSNEVLR399 GAIETYQEVA409 SLPDVPADLL419 KLSLKRRSDR429 QQFLGHMRGS 439 LLTLQRLVQL449 FPNDTSLKND459 LGVGYLLIGD469 NDNAKKVYEE479 VLSVTPNDGF 489 AKVHYGFILK499 AQNKIAESIP509 YLKEGIESGD519 PGTDDGRFYF529 HLGDAMQRVG 539 NKEAYKWYEL549 GHKRGHFASV559 WQRSLYNVNG569 LKAQPWWTPK579 ETGYTELVKS 589 LERNWKLIRD599 EGLAVMDKAK609 GLFLPEDENL619 REKGDWSQFT629 LWQQGRRNEN 639 ACKGAPKTCT649 LLEKFPETTG659 CRRGQIKYSI669 MHPGTHVWPH679 TGPTNCRLRM 689 HLGLVIPKEG699 CKIRCANETK709 TWEEGKVLIF719 DDSFEHEVWQ729 DASSFRLIFI 739 VDVWHPELTP749 QQRRSLPAI
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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 .UQK or .UQK2 or .UQK3 or :3UQK;style chemicals stick;color identity;select .A:625 or .A:627 or .A:668 or .A:670 or .A:676 or .A:679 or .A:688 or .A:690 or .A:702 or .A:711 or .A:719 or .A:721 or .A:725 or .A:727 or .A:735 or .A:737 or .A:739; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2,2-Dimethyl-4-oxidanylidene-pentanedioic acid | Ligand Info | |||||
| Structure Description | Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 4,4-dimethyl-2-oxoglutarate, and factor X substrate peptide fragment(39mer-4Ser) | PDB:6YYY | ||||
| Method | X-ray diffraction | Resolution | 2.29 Å | Mutation | Yes | [3] |
| PDB Sequence |
PKLLNKFDKT
340 IKAELDAAEK350 LRKRGKIEEA360 VNAFKELVRK370 YPQSPRARYG380 KAQCEDDLAE 390 KRRSNEVLRG400 AIETYQEVAS410 LPDVPADLLK420 LSLKRRSDRQ430 QFLGHMRGSL 440 LTLQRLVQLF450 PNDTSLKNDL460 GVGYLLIGDN470 DNAKKVYEEV480 LSVTPNDGFA 490 KVHYGFILKA500 QNKIAESIPY510 LKEGIESGDP520 GTDDGRFYFH530 LGDAMQRVGN 540 KEAYKWYELG550 HKRGHFASVW560 QRSLYNVNGL570 KAQPWWTPKE580 TGYTELVKSL 590 ERNWKLIRDE600 GLAVMDKAKG610 LFLPEDENLR620 EKGDWSQFTL630 WQQGRRNENA 640 CKGAPKTCTL650 LEKFPETTGC660 RRGQIKYSIM670 HPGTHVWPHT680 GPTNCRLRMH 690 LGLVIPKEGC700 KIRCANETKT710 WEEGKVLIFD720 DSFEHEVWQD730 ASSFRLIFIV 740 DVWHPELTPQ750 QRRSLPAI
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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 .Q1W or .Q1W2 or .Q1W3 or :3Q1W;style chemicals stick;color identity;select .A:615 or .A:625 or .A:627 or .A:666 or .A:668 or .A:670 or .A:676 or .A:679 or .A:688 or .A:690 or .A:702 or .A:711 or .A:719 or .A:721 or .A:725 or .A:727 or .A:735 or .A:737 or .A:739; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (2S)-2-Hydroxybutanedioic acid | Ligand Info | |||||
| Structure Description | Crystal structure of human aspartate beta-hydroxylase isoform a | PDB:5APA | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [5] |
| PDB Sequence |
SLYNVNGLKA
572 QPWWTPKETG582 YTELVKSLER592 NWKLIRDEGL602 AVMDKAKGLF612 LPEDENLREK 622 GDWSQFTLWQ632 QGRRNENACK642 GAPKTCTLLE652 KFPETTGCRR662 GQIKYSIMHP 672 GTHVWPHTGP682 TNCRLRMHLG692 LVIPKEGCKI702 RCANETKTWE712 EGKVLIFDDS 722 FEHEVWQDAS732 SFRLIFIVDV742 WHPELTPQQR752 RSLPAI
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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 .LMR or .LMR2 or .LMR3 or :3LMR;style chemicals stick;color identity;select .A:617 or .A:625 or .A:668 or .A:670 or .A:676 or .A:679 or .A:688 or .A:690 or .A:702 or .A:711 or .A:719 or .A:721 or .A:725 or .A:727 or .A:735 or .A:737 or .A:739; 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 | ||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Aspartyl/Asparaginyl beta-hydroxylase (AspH) H679A in complex with Mn, NOG and Factor X peptide fragment (39mer-4Ser) | ||||
| REF 2 | Human Oxygenase Variants Employing a Single Protein Fe(II) Ligand Are Catalytically Active. Angew Chem Int Ed Engl. 2021 Jun 21;60(26):14657-14663. | ||||
| REF 3 | Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase. doi:10.1039/D0SC04301J. | ||||
| REF 4 | Aspartate/asparagine-beta-hydroxylase: a high-throughput mass spectrometric assay for discovery of small molecule inhibitors. Sci Rep. 2020 May 26;10(1):8650. | ||||
| REF 5 | Aspartate/asparagine-beta-hydroxylase crystal structures reveal an unexpected epidermal growth factor-like domain substrate disulfide pattern. Nat Commun. 2019 Oct 28;10(1):4910. | ||||
| REF 6 | Fluorinated derivatives of pyridine-2,4-dicarboxylate are potent inhibitors of human 2-oxoglutarate dependent oxygenases. doi:10.1016/j.jfluchem.2021.109804. | ||||
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