Structure of PDB 3c8c Chain B Binding Site BS02

Receptor Information
>3c8c Chain B (length=240) Species: 243277 (Vibrio cholerae O1 biovar El Tor str. N16961) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLRSMVSDSVDEIVDGVSKTTAEVINGRKSIAQYATSLIENNPEPDNVRT
IISQPLIKNTFLLVGFGLEKDGSNINNDPSWNPGPTWDPRVRPWYKDAKN
AGKLVITAPYADSASGEILVSVATPVKDSATGQFLGSIFYDVSLAELAEL
VNEVKLFDAGYVFIVSEDGTTIAHPKKEFNGKPMSEFLGESKINVDTHQV
IINGKPYAVSFSDVEGEDWYVGVVIDEEIAYAALDELRRS
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 chain3c8c Chain B Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3c8c Crystal structure of Mcp_N and cache N-terminal domains of methyl-accepting chemotaxis protein from Vibrio cholerae.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		W141 W147 R152 W154 Y170 D172 S173 F199 D201
Binding residue
(residue number reindexed from 1)		W81 W87 R92 W94 Y110 D112 S113 F139 D141
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links