Structure of PDB 3zyy Chain X Binding Site BS02

Receptor Information

>3zyy Chain X (length=628) Species: 129958 (Carboxydothermus hydrogenoformans)

EYKVLFKPDQKEVAISENTNLMEALNLAGINIKTVCGGAGTCGKCLVRVV
DGQKRVESYGKLKQEEIAQGYVLACQTYPESDLIIEIPFDSRLTQHQIVT
DDEKASGVMNELDLAEEDELDPLFKEVSLELPVPTLDDPRDDLSRLTATF
SRQENGNLIVEYEQLKDLPQILRNENFSVTVGVSDYLGLNKALYIKSGSA
SQRVFGLAIDIGTTTVVVQLVDLVSGKVLGTKGNYNKQAAFGDDVISRII
YVDENPDGAEKLRKAVLSTINELIFQLCKEHGVEKKEIMAAVVAGNTTMT
HLFLEIDPRYIRLEPYTPAALFIPPVPATEAKIEMNPKGFVYIMPNVASY
VGGDITSGVLYTGLANSDEITLFIDIGTNGEMVLGNKDWLVTCACSAGPA
FEGSGIKHGMRAMQGAIERVSISEAGLKVKYQTVGGIPPVGICGSGLIDL
LANLKRAGIIDRSGKIDRTVNKERIREGEDGLEFVLAWANESGNNKDIVI
TEADIQNLIRAKAAIFAGVRTMLAMVDLPLEAIDRVIIAGGFGKYLNIKD
AITIGLLPDIDINKFSYVGNSSLKGARKALLSRKACAEVKEIARKMTYLE
LSVGTTFMDEFVSASFIPHTDLHLFPSV

Ligand information

• Ligand ID: BU3
• InChI: InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1
• InChIKey: OWBTYPJTUOEWEK-QWWZWVQMSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C[C@H]([C@@H](C)O)O
  CACTVS 3.341: C[C@@H](O)[C@@H](C)O
  ACDLabs 10.04: OC(C)C(O)C
  OpenEye OEToolkits 1.5.0: CC(C(C)O)O
  CACTVS 3.341: C[CH](O)[CH](C)O
• Formula: C4 H10 O2
• Name: (R,R)-2,3-BUTANEDIOL
• ZINC: ZINC000000901616
• PDB chain: 3zyy Chain X Residue 1638

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3zyy Redox-Dependent Complex Formation by an ATP-Dependent Activator of the Corrinoid/Iron-Sulfur Protein.
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): Y352 E602
• Binding residue (residue number reindexed from 1): Y350 E600
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0046872 metal ion binding
• GO:0051536 iron-sulfur cluster binding
• GO:0051537 2 iron, 2 sulfur cluster binding

External links

• PDB: RCSB:3zyy, PDBe:3zyy, PDBj:3zyy
• PDBsum: 3zyy
• PubMed: 22431597
• UniProt: Q3ACS2