Structure of PDB 3td3 Chain H Binding Site BS01

Receptor Information
>3td3 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 IDGLY
InChIInChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
InChIKeyDHMQDGOQFOQNFH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(=O)O)N
CACTVS 3.341NCC(O)=O
ACDLabs 10.04O=C(O)CN
FormulaC2 H5 N O2
NameGLYCINE
ChEMBLCHEMBL773
DrugBankDB00145
ZINCZINC000004658552
PDB chain3td3 Chain H Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3td3 Mechanism of anchoring of OmpA protein to the cell wall peptidoglycan of the gram-negative bacterial outer membrane
Resolution1.59 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
Binding affinityMOAD: Kd=0.59uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:3td3, PDBe:3td3, PDBj:3td3
PDBsum3td3
PubMed21965596
UniProtQ6RYW5|OMP38_ACIB2 Outer membrane protein Omp38 (Gene Name=omp38)

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