Structure of PDB 4gwn Chain A Binding Site BS02

Receptor Information
>4gwn Chain A (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 chain4gwn Chain D Residue 8 [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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PDB4gwn Structural basis for the sheddase function of human meprin beta metalloproteinase at the plasma membrane
Resolution3.0 Å
Binding residue
(original residue number in PDB)		K457 N484 Q487
Binding residue
(residue number reindexed from 1)		K396 N423 Q426
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H152 E153 H156 H162 Y211
Catalytic site (residue number reindexed from 1) H91 E92 H95 H101 Y150
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
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4gwn, PDBe:4gwn, PDBj:4gwn
PDBsum4gwn
PubMed22988105
UniProtQ16820|MEP1B_HUMAN Meprin A subunit beta (Gene Name=MEP1B)

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