Structure of PDB 7rjj Chain B Binding Site BS01

Receptor Information
>7rjj Chain B (length=120) Species: 72407 (Klebsiella pneumoniae subsp. pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PDVIRLDSMSLFDTGKWVLKPGSTKRLVSSLMDIKARPGWLIVVAGHTDS
VGEEKANQLLSLKRAESVRDWMRDTGDVPDSCFAVQGYGESRPIATNDTP
EGRALNRRVEISLVPQVDAC
Ligand information
Ligand IDDAL
InChIInChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1
InChIKeyQNAYBMKLOCPYGJ-UWTATZPHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C(=O)O)N
CACTVS 3.341C[CH](N)C(O)=O
CACTVS 3.341C[C@@H](N)C(O)=O
ACDLabs 10.04O=C(O)C(N)C
OpenEye OEToolkits 1.5.0C[C@H](C(=O)O)N
FormulaC3 H7 N O2
NameD-ALANINE
ChEMBLCHEMBL66693
DrugBankDB01786
ZINCZINC000004658556
PDB chain7rjj Chain B Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7rjj A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae.
Resolution1.88 Å
Binding residue
(original residue number in PDB)		T441 G442 T475 D476 V478 N484 L487 R491 R534
Binding residue
(residue number reindexed from 1)		T14 G15 T48 D49 V51 N57 L60 R64 R107
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links