Structure of PDB 5idh Chain A Binding Site BS01

Receptor Information

>5idh Chain A (length=316) Species: 226185 (Enterococcus faecalis V583)

FQGMIFVPNENNDPRVNLAIETYLLTEMPLDEPILLFYINEPSIIIGRNQ
NTIEEINKEYVDEHGIHVVRRLSGGGAVYHDHGNLNFSFIMPDDDFAKVT
QPIIQALHDLGVEGAELKGRNDLVINDMKFSGNAMYATNGRMFAHGTLMF
DSDIDEVVNTLKRVTNIKPFLSEDKQEMTTEEFRQEILLKIFGVDSIDQV
KTYELTDQDWAAINKISEQYYRNWDWNYGKSPAFNLERRHRFPIGSIEMK
MNVADGAIQEIKIFGDFFGLGEIKDVEDILTGVKYDKASLEEAIDQIDVK
KYFGNIEKEDLLGLIY

Ligand information

• Ligand ID: SH6
• InChI: InChI=1S/C8H15BrO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7H2,(H,10,11)
• InChIKey: BKJFDZSBZWHRNH-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.9.2: C(CCCC(=O)O)CCCBr
  CACTVS 3.385: OC(=O)CCCCCCCBr
  ACDLabs 12.01: O=C(O)CCCCCCCBr
• Formula: C8 H15 Br O2
• Name: 8-bromooctanoic acid
• ZINC: ZINC000002504410
• PDB chain: 5idh Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5idh Crystal structure of Enterococcus faecalis lipoate-protein ligase A (lplA-2) in complex with 8-bromooctanoic acid
• Resolution: 1.55 Å
• Binding residue (original residue number in PDB): Y35 R68 G73 V75 H147 T149 F286
• Binding residue (residue number reindexed from 1): Y38 R71 G76 V78 H145 T147 F268
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 6.3.1.20: lipoate--protein ligase.

Gene Ontology

Molecular Function

• GO:0005524 ATP binding
• GO:0016874 ligase activity
• GO:0016979 lipoate-protein ligase activity
• GO:0017118 lipoyltransferase activity

Biological Process

• GO:0009249 protein lipoylation
• GO:0036211 protein modification process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:5idh, PDBe:5idh, PDBj:5idh
• PDBsum: 5idh
• UniProt: Q830N7