Structure of PDB 2eax Chain C Binding Site BS02

Receptor Information
>2eax Chain C (length=164) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CPGIVPRSVWGARETHCPRMTLPAKYGIIIHTAGRTCNISDECRLLVRDI
QSFYIDRLKSCDIGYNFLVGQDGAIYEGVGWNVQGSSTPGYDDIALGITF
MGTFTGIPPNAAALEAAQDLIQCAMVKGYLTPNYLLVGHSDVARTLSPGQ
ALYNIISTWPHFKH
Ligand information
Ligand IDAMV
InChIInChI=1S/C12H21NO8/c1-5(11(17)18)20-10-8(13-6(2)15)12(19-3)21-7(4-14)9(10)16/h5,7-10,12,14,16H,4H2,1-3H3,(H,13,15)(H,17,18)/t5-,7-,8-,9-,10-,12-/m1/s1
InChIKeyUXEQYDNCHCKBIL-PKKPQKKZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C(=O)O)OC1C(C(OC(C1O)CO)OC)NC(=O)C
OpenEye OEToolkits 1.5.0C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)OC)NC(=O)C
CACTVS 3.341CO[CH]1O[CH](CO)[CH](O)[CH](O[CH](C)C(O)=O)[CH]1NC(C)=O
ACDLabs 10.04O=C(O)C(OC1C(O)C(OC(OC)C1NC(=O)C)CO)C
CACTVS 3.341CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@H](C)C(O)=O)[C@H]1NC(C)=O
FormulaC12 H21 N O8
Namemethyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside;
METHYL 2-(ACETYLAMINO)-3-O-[(1R)-1-CARBOXYETHYL]-2-DEOXY-BETA-D-GLUCOPYRANOSIDE;
methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucoside;
methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-D-glucoside;
methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-glucoside
ChEMBL
DrugBank
ZINCZINC000058650293
PDB chain2eax Chain D Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2eax Structural insights into the bactericidal mechanism of human peptidoglycan recognition proteins
Resolution2.1 Å
Binding residue
(original residue number in PDB)		T241 Y274
Binding residue
(residue number reindexed from 1)		T32 Y65
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding
GO:0008745 N-acetylmuramoyl-L-alanine amidase activity
Biological Process
GO:0009253 peptidoglycan catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:2eax, PDBe:2eax, PDBj:2eax
PDBsum2eax
PubMed17502600
UniProtQ96LB8|PGRP4_HUMAN Peptidoglycan recognition protein 4 (Gene Name=PGLYRP4)

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