Structure of PDB 4aq4 Chain A Binding Site BS04

Receptor Information

>4aq4 Chain A (length=418) Species: 83333 (Escherichia coli K-12)

GSHMVTTIPFWHSMEGELGKEVDSLAQRFNAENPDYKIVPTYKGNYEQNL
SAGIAAFRTGNAPAILQVYEVGTATMMASKAIKPVYDVFKEAGIQFDESQ
FVPTVSGYYSDSKTGHLLSQPFNSSTPVLYYNKDAFKKAGLDPEQPPKTW
QDLADYAAKLKASGMKCGYASGWQGWIQLENFSAWNGLPFASKNNGFDGT
DAVLEFNKPEQVKHIAMLEEMNKKGDFSYVGRKDESTEKFYNGDCAMTTA
SSGSLANIREYAKFNYGVGMMPYDADAKDAPQNAIIGGASLWVMQGKDKE
TYTGVAKFLDFLAKPENAAEWHQKTGYLPITKAAYDLTREQGFYEKNPGA
DTATRQMLNKPPLPFTKGLRLGNMPQIRVIVDEELESVWTGKKTPQQALD
TAVERGNQLLRRFEKSTK

Ligand information

• Ligand ID: CO
• InChI: InChI=1S/Co/q+2
• InChIKey: XLJKHNWPARRRJB-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Co+2]
  CACTVS 3.341: [Co++]
• Formula: Co
• Name: COBALT (II) ION
• DrugBank: DB14205
• PDB chain: 4aq4 Chain A Residue 1419

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4aq4 Determinants of Substrate Specificity and Biochemical Properties of the Sn-Glycerol-3-Phosphate ATP Binding Cassette Transporter (Ugpb-Aec(2) ) of Escherichia Coli.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): G-3 S-2 H-1
• Binding residue (residue number reindexed from 1): G1 S2 H3
• Annotation score: 3

Gene Ontology

Biological Process

• GO:0001407 glycerophosphodiester transmembrane transport
• GO:0015794 glycerol-3-phosphate transmembrane transport
• GO:0055085 transmembrane transport

Cellular Component

• GO:0016020 membrane
• GO:0030288 outer membrane-bounded periplasmic space
• GO:0042597 periplasmic space
• GO:1902517 glycerol-3-phosphate-transporting ATPase complex

External links

• PDB: RCSB:4aq4, PDBe:4aq4, PDBj:4aq4
• PDBsum: 4aq4
• PubMed: 23013274
• UniProt: P0AG80|UGPB_ECOLI sn-glycerol-3-phosphate-binding periplasmic protein UgpB (Gene Name=ugpB)