Structure of PDB 4g4y Chain H Binding Site BS01

Receptor Information
>4g4y Chain H (length=121) Species: 470 (Acinetobacter baumannii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMELTEDLNMELRVFFDTNKSNIKDQYKPEIAKVAEKLSEYPNATARIEG
HTDNTGPRKLNERLSLARANSVKSALVNEYNVDASRLSTQGFAWDQPIAD
NKTKEGRAMNRRVFATITGSR
Ligand information
Ligand IDALA
InChIInChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
InChIKeyQNAYBMKLOCPYGJ-REOHCLBHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C(=O)O)N
CACTVS 3.341C[CH](N)C(O)=O
ACDLabs 10.04O=C(O)C(N)C
CACTVS 3.341C[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0C[C@@H](C(=O)O)N
FormulaC3 H7 N O2
NameALANINE
ChEMBLCHEMBL279597
DrugBankDB00160
ZINCZINC000004658553
PDB chain4g4y Chain H Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4g4y Enantiomer-dependent amino acid binding affinity of OmpA-like domains from Acinetobacter baumannii peptidoglycan-associated lipoprotein and OmpA
Resolution1.7 Å
Binding residue
(original residue number in PDB)		T236 N237 T270 D271 T273 N279 L282 R286 R329
Binding residue
(residue number reindexed from 1)		T18 N19 T52 D53 T55 N61 L64 R68 R111
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:4g4y, PDBe:4g4y, PDBj:4g4y
PDBsum4g4y
PubMed
UniProtQ6RYW5|OMP38_ACIB2 Outer membrane protein Omp38 (Gene Name=omp38)

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