Structure of PDB 2efy Chain A Binding Site BS02

Receptor Information

>2efy Chain A (length=302) Species: 300852 (Thermus thermophilus HB8)

MRVEGAIGKTPVVRLAKVVEPDMAEVWVKLEGLNPGGSIKDRPAWYMIKD
AEERGILRPGSGQVIVEPTSGNTGIGLAMIAASRGYRLILTMPAQMSEER
KRVLKAFGAELVLTDPERRMLAAREEALRLKEELGAFMPDQFKNPANVRA
HYETTGPELYEALEGRIDAFVYGSGTGGTITGVGRYLKERIPHVKVIAVE
PARSNVLSGGKMGQHGFQGMGPGFIPENLDLSLLDGVIQVWEEDAFPLAR
RLAREEGLFLGMSSGGIVWAALQVARELGPGKRVACISPDGGWKYLSTPL
YA

Ligand information

• Ligand ID: 4AT
• InChI: InChI=1S/C6H10O3/c1-5(7)3-2-4-6(8)9/h2-4H2,1H3,(H,8,9)
• InChIKey: MGTZCLMLSSAXLD-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04: O=C(C)CCCC(=O)O
  OpenEye OEToolkits 1.5.0: CC(=O)CCCC(=O)O
  CACTVS 3.341: CC(=O)CCCC(O)=O
• Formula: C6 H10 O3
• Name: 5-OXOHEXANOIC ACID;
  4-ACETYLBUTYRIC ACID
• ZINC: ZINC000000901275
• PDB chain: 2efy Chain A Residue 414

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2efy Crystal Structure of T.th. HB8 O-acetylserine sulfhydrylase Complexed with 4-Acetylbutyric acid
• Resolution: 2.35 Å
• Binding residue (original residue number in PDB): T69 G71 T73 Q141 G175 G219 M220 P222
• Binding residue (residue number reindexed from 1): T69 G71 T73 Q141 G175 G219 M220 P222
• 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

External links

• PDB: RCSB:2efy, PDBe:2efy, PDBj:2efy
• PDBsum: 2efy
• UniProt: Q5SLE6