Structure of PDB 1gkm Chain A Binding Site BS01

Receptor Information
>1gkm Chain A (length=507) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TELTLKPGTLTLAQLRAIHAAPVRLQLDASAAPAIDASVACVEQIIAEDR
TAYGINTGFGLLASTRIASHDLENLQRSLVLSHAAGIGAPLDDDLVRLIM
VLKINSLSRGFSGIRRKVIDALIALVNAEVYPHIPLKGSVGGDLAPLAHM
SLVLLGEGKARYKGQWLSATEALAVAGLEPLTLAAKEGLALLNGTQASTA
YALRGLFYAEDLYAAAIACGGLSVEAVLGSRSPFDARIHEARGQRGQIDT
AACFRDLLGDSSEVSLSHKNADKVQDPYSLRCQPQVMGACLTQLRQAAEV
LGIEANAVSDNPLVFAAEGDVISGGNFHAEPVAMAADNLALAIAEIGSLS
ERRISLMMDKHMSQLPPFLVENGGVNSGFMIAQVTAAALASENKALSHPH
SVDSLPTSANQEDHVSMAPAAGKRLWEMAENTRGVLAIEWLGACQGLDLR
KGLKTSAKLEKARQALRSEVAHYDRDRFFAPDIEKAVELLAKGSLTGLLP
AGVLPSL
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 chain1gkm Chain A Residue 1510 [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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PDB1gkm Structures of Two Histidine Ammonia-Lyase Modifications and Implications for the Catalytic Mechanism
Resolution1.0 Å
Binding residue
(original residue number in PDB)		X142 L191 N195 F329
Binding residue
(residue number reindexed from 1)		X142 L189 N193 F327
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) Y53 G60 H83 N195 Y280 R283 F329 E414
Catalytic site (residue number reindexed from 1) Y53 G60 H83 N193 Y278 R281 F327 E412
Enzyme Commision number 4.3.1.3: histidine ammonia-lyase.
External links