Structure of PDB 2yln Chain A Binding Site BS01

Receptor Information
>2yln Chain A (length=240) Species: 485 (Neisseria gonorrhoeae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AISGSLIERINNKGTVTVGTEGTYAPFTYHDKDGKLTGYDVEVTRAVAEK
LGVKVEFKETQWDSMMAGLKAGRFDVVANQVGLTSPERQATFDKSEPYSW
SGAVLVAHNDSNIKSIADIKGVKTAQSLTSNYGEKAKAAGAQLVPVDGLA
QSLTLIEQKRADATLNDELAVLDYLKKNPNAGVKIVWSAPADEKVGSGLI
VNKGNDEAVAKFSTAINELKADGTLKKLGEQFFGKDISVQ
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 chain2yln Chain A Residue 500 [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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PDB2yln Crystal Structures of Two Solute Receptors for L-Cystine and L-Cysteine, Respectively, of the Human Pathogen Neisseria Gonorrhoeae.
Resolution1.12 Å
Binding residue
(original residue number in PDB)		W97 N114 R123 S165 N166
Binding residue
(residue number reindexed from 1)		W62 N79 R88 S130 N131
Annotation score4
Binding affinityMOAD: Kd=0.021uM
PDBbind-CN: -logKd/Ki=7.68,Kd=0.021uM
Enzymatic activity
Enzyme Commision number ?
External links