Structure of PDB 7aq1 Chain B Binding Site BS01

Receptor Information
>7aq1 Chain B (length=533) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NSIIGEKYRWPHTIPYVLEDSLEMNAKGVILNAFERYRLKTCIDFKPWAG
ETNYISVFKGSGCWSSVGNRRVGKQELSIGANCDRIATVQHEFLHALGFW
HEQSRSDRDDYVRIMWDRILSGREHNFNTYSDDISDSLNVPYDYTSVMHY
SKTAFQNGTEPTIVTRISDFEDVIGQRMDFSDSDLLKLNQLYNCSSSLSF
MDSCSFELENVCGMIQSSGDNADWQRVSQVPRGPESDHSNMGQCQGSGFF
MHFDSSSVNVGATAVLESRTLYPKRGFQCLQFYLYNSGSESDQLNIYIRE
YSADNVDGNLTLVEEIKEIPTGSWQLYHVTLKVTKKFRVVFEGRKGSGAS
LGGLSIDDINLSETRCPHHIWHIRNFTQFIGSPNGTLYSPPFYSSKGYAF
QIYLNLAHVTNAGIYFHLISGANDDQLQWPCPWQQATMTLLDQNPDIRQR
MSNQRSITTDPFMTTDNGNYFWDRPSKVGTVALFSNGTQFRRGGGYGTSA
FITHERLKSRDFIKGDDVYILLTVEDISHLNST
Ligand information
Ligand IDMAN
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1
InChIKeyWQZGKKKJIJFFOK-PQMKYFCFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-mannopyranose;
alpha-D-mannose;
D-mannose;
mannose
ChEMBLCHEMBL365590
DrugBank
ZINCZINC000003860903
PDB chain7aq1 Chain L Residue 4 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7aq1 Structure and Dynamics of Meprin beta in Complex with a Hydroxamate-Based Inhibitor.
Resolution2.413 Å
Binding residue
(original residue number in PDB)		Y454 N484
Binding residue
(residue number reindexed from 1)		Y393 N423
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.24.63: meprin B.
Gene Ontology
Molecular Function
GO:0004222 metalloendopeptidase activity
GO:0008237 metallopeptidase activity
GO:0008270 zinc ion binding
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7aq1, PDBe:7aq1, PDBj:7aq1
PDBsum7aq1
PubMed34073350
UniProtQ16820|MEP1B_HUMAN Meprin A subunit beta (Gene Name=MEP1B)

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