Structure of PDB 2yln Chain A Binding Site BS02

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 600 [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)		E56 Y59 W97 S162 G183 L184 N201
Binding residue
(residue number reindexed from 1)		E21 Y24 W62 S127 G148 L149 N166
Annotation score4
Binding affinityMOAD: Kd=0.021uM
PDBbind-CN: -logKd/Ki=7.68,Kd=0.021uM
Enzymatic activity
Enzyme Commision number ?
External links