Structure of PDB 1xt8 Chain B Binding Site BS01

Receptor Information
>1xt8 Chain B (length=251) Species: 197 (Campylobacter jejuni) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKTLNSLDKIKQNGVVRIGVFGDKPPFGYVDEKGNNQGYDIALAKRIAKE
LFGDENKVQFVLVEAANRVEFLKSNKVDIILANFTQTPQRAEQVDFCSPY
MKVALGVAVPKDSNITSVEDLKDKTLLLNKGTTADAYFTQNYPNIKTLKY
DQNTETFAALMDKRGDALSHDNTLLFAWVKDHPDFKMGIKELGNKDVIAP
AVKKGDKELKEFIDNLIIKLGQEQFFHKAYDETLKAHFGDDVKADDVVIE
G
Ligand information
Ligand IDCYS
InChIInChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKeyXUJNEKJLAYXESH-REOHCLBHSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CS)C(O)=O
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)N)S
CACTVS 3.341N[C@@H](CS)C(O)=O
ACDLabs 10.04O=C(O)C(N)CS
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)S
FormulaC3 H7 N O2 S
NameCYSTEINE
ChEMBLCHEMBL863
DrugBankDB00151
ZINCZINC000000895042
PDB chain1xt8 Chain A Residue 402 [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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PDB1xt8 An ATP-binding cassette-type cysteine transporter in Campylobacter jejuni inferred from the structure of an extracytoplasmic solute receptor protein.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		F27 K30 R74 N89 T91 R96 T138 T139 H176 D177
Binding residue
(residue number reindexed from 1)		F21 K24 R68 N83 T85 R90 T132 T133 H170 D171
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links