Structure of PDB 2yjp Chain A Binding Site BS01

Receptor Information
>2yjp Chain A (length=247) Species: 242231 (Neisseria gonorrhoeae FA 1090) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AATVAAIKEKGVIRIGVFGDKPPFGYVDANGKNQGFDVEIAKDLAKDLLG
SPDKVEFVLTEAANRVEYVRSGKVDLILANFTQTPERAEAVDFADPYMKV
ALGVVSPKNKPITDMAQLKDQTLLVNKGTTADAFFTKSHPEVKLLKFDQN
TETFDALKDGRGVALAHDNALLWAWAKENPNFEVAIGNLGPAEFIAPAVQ
KGNADLLNWVNGEIAAMKKDGRLKAAYEKTLLPVYGEKVKPEALLAE
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 chain2yjp Chain A Residue 350 [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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PDB2yjp Crystal Structures of Two Solute Receptors for L-Cystine and L-Cysteine, Respectively, of the Human Pathogen Neisseria Gonorrhoeae.
Resolution2.26 Å
Binding residue
(original residue number in PDB)		F55 K58 R102 N117 F118 T119 R124 T166 T167 H204 D205
Binding residue
(residue number reindexed from 1)		F18 K21 R65 N80 F81 T82 R87 T129 T130 H167 D168
Annotation score4
Binding affinityMOAD: Kd=21nM
Enzymatic activity
Enzyme Commision number ?
External links