Structure of PDB 4gwn Chain A Binding Site BS01

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 IDFUC
InChIInChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m0/s1
InChIKeySHZGCJCMOBCMKK-SXUWKVJYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)C
OpenEye OEToolkits 1.5.0CC1C(C(C(C(O1)O)O)O)O
OpenEye OEToolkits 1.5.0C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O
CACTVS 3.341C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
FormulaC6 H12 O5
Namealpha-L-fucopyranose;
alpha-L-fucose;
6-deoxy-alpha-L-galactopyranose;
L-fucose;
fucose
ChEMBLCHEMBL1232862
DrugBankDB04473
ZINCZINC000001532814
PDB chain4gwn Chain C Residue 7 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		I359 E361 K393
Binding residue
(residue number reindexed from 1)		I298 E300 K332
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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