Structure of PDB 7zbv Chain A Binding Site BS02

Receptor Information
>7zbv Chain A (length=390) Species: 1498 (Hathewaya histolytica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DKFLDDAEKHYLPKTYTFDNGTFIIRAGDKVSEEKIKRLYWASREVKSQF
HRVVGNDKALEVGNADDVLTMKIFNSPEEYKFNTNINGVSTDNGGLYIEP
RGTFYTYERTPQQSIFSLEELFRHEYTHYLQARYLVDGLWGQGPFYEKNR
LTWFDEGTAEFFAGSTRTSGVLPRKLILGYLAKDKVDHRYSLKKTLNSGY
DDSDWMFYNYGFAVAHYLYEKDMPTFIKMNKAILNTDVKSYDEIIKKLSD
DANKNTEYQNHIQELVDKYQGAGIPLVSDDYLKDHGYKKASEVYSEISKA
ASLTNTSVTAEKSQYFNTFTLRGTYTGETSKGEFKDWDEMSKKLDGTLES
LAKNSWSGYKTLTAYFTNYRVTSDNKVQYDVVFHGVLTDN
Ligand information
Ligand IDITO
InChIInChI=1S/C8H6Cl2N2O6P2/c9-3-1-5-6(2-4(3)10)12-8(20(16,17)18)7(11-5)19(13,14)15/h1-2H,(H2,13,14,15)(H2,16,17,18)
InChIKeyBHYCREODMJPRFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385O[P](O)(=O)c1nc2cc(Cl)c(Cl)cc2nc1[P](O)(O)=O
OpenEye OEToolkits 2.0.7c1c2c(cc(c1Cl)Cl)nc(c(n2)P(=O)(O)O)P(=O)(O)O
FormulaC8 H6 Cl2 N2 O6 P2
Name[6,7-bis(chloranyl)-3-phosphono-quinoxalin-2-yl]phosphonic acid
ChEMBLCHEMBL5177477
DrugBank
ZINC
PDB chain7zbv Chain A Residue 804 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7zbv Discovery and Characterization of Synthesized and FDA-Approved Inhibitors of Clostridial and Bacillary Collagenases.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		N492 G493 G494 F515 L520 H523 E524 E555 E559 R573 Y607
Binding residue
(residue number reindexed from 1)		N93 G94 G95 F116 L121 H124 E125 E156 E160 R174 Y208
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.24.3: microbial collagenase.
Gene Ontology
Molecular Function
GO:0004222 metalloendopeptidase activity
GO:0008270 zinc ion binding
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7zbv, PDBe:7zbv, PDBj:7zbv
PDBsum7zbv
PubMed36154055
UniProtQ9X721|COLG_HATHI Collagenase ColG (Gene Name=colG)

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