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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 ID 3HL InChI InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1 InChIKey WHBMMWSBFZVSSR-VKHMYHEASA-N SMILES Software SMILES ACDLabs 10.04 O=C(O)CC(O)C CACTVS 3.341 C[C@H](O)CC(O)=O CACTVS 3.341 C[CH](O)CC(O)=O OpenEye OEToolkits 1.5.0 CC(CC(=O)O)O OpenEye OEToolkits 1.5.0 C[C@@H](CC(=O)O)O Formula C4 H8 O3 Name (3S)-3-HYDROXYBUTANOIC ACID ChEMBL CHEMBL1162497 DrugBank ZINC ZINC000000901665 PDB chain 2ecq Chain A Residue 414 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 2ecq Crystal Structure of T.th. HB8 O-acetylserine sulfhydrylase Complexed with 3-Hydroxylactate Resolution 1.9 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 score 1

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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