Structure of PDB 2ecq Chain A Binding Site BS02

Receptor Information
>2ecq Chain A (length=302) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRVEGAIGKTPVVRLAKVVEPDMAEVWVKLEGLNPGGSIKDRPAWYMIKD
AEERGILRPGSGQVIVEPTSGNTGIGLAMIAASRGYRLILTMPAQMSEER
KRVLKAFGAELVLTDPERRMLAAREEALRLKEELGAFMPDQFKNPANVRA
HYETTGPELYEALEGRIDAFVYGSGTGGTITGVGRYLKERIPHVKVIAVE
PARSNVLSGGKMGQHGFQGMGPGFIPENLDLSLLDGVIQVWEEDAFPLAR
RLAREEGLFLGMSSGGIVWAALQVARELGPGKRVACISPDGGWKYLSTPL
YA
Ligand information
Ligand ID3HL
InChIInChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1
InChIKeyWHBMMWSBFZVSSR-VKHMYHEASA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)CC(O)C
CACTVS 3.341C[C@H](O)CC(O)=O
CACTVS 3.341C[CH](O)CC(O)=O
OpenEye OEToolkits 1.5.0CC(CC(=O)O)O
OpenEye OEToolkits 1.5.0C[C@@H](CC(=O)O)O
FormulaC4 H8 O3
Name(3S)-3-HYDROXYBUTANOIC ACID
ChEMBLCHEMBL1162497
DrugBank
ZINCZINC000000901665
PDB chain2ecq Chain A Residue 414 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ecq Crystal Structure of T.th. HB8 O-acetylserine sulfhydrylase Complexed with 3-Hydroxylactate
Resolution1.9 Å
Binding residue
(original residue number in PDB)		K40 G71 T73 Q141 G219
Binding residue
(residue number reindexed from 1)		K40 G71 T73 Q141 G219
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K40 S70 E200 S204 S263
Catalytic site (residue number reindexed from 1) K40 S70 E200 S204 S263
Enzyme Commision number 2.5.1.47: cysteine synthase.
Gene Ontology
Molecular Function
GO:0004124 cysteine synthase activity
GO:0016740 transferase activity
GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups
GO:0080146 L-cysteine desulfhydrase activity
Biological Process
GO:0006535 cysteine biosynthetic process from serine
GO:0019344 cysteine biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2ecq, PDBe:2ecq, PDBj:2ecq
PDBsum2ecq
PubMed
UniProtQ5SLE6

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