Structure of PDB 8cko Chain A Binding Site BS04

Receptor Information
>8cko Chain A (length=492) Species: 176299 (Agrobacterium fabrum str. C58) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QERRALRLGVNGLPNSLEPVNAISNVGPRIVNQIFDTLIARDFFAKGAPG
NAIDLVPALAESWERIDEKSVRFKLRQKVMFHDGVELTADDVAYTFSSER
LWGPEAIKKIPLGKSYSLDFDEPVVEDKYTVTLRTKTPSYLIETFVASWM
SRIVPKEYYKKLGAVDFGNKPVGTGPYKFVEFVAGDRVVLEANDAYWGPK
PTASKITYQIVAEPATRVAGLISGEYDIITTLTPDDIQLINSYPDLETRG
TLIENFHMFTFNMNQEVFKDKKLRRALALAVNRPIMVEALWKKQASIPAG
FNFPNYGETFDPKRKAMEYNVEEAKRLVKESGYDGTPITYHTMGNYYANA
MPALMMMIEMWKQIGVNVVMKTYAPGSFPPDNQTWMRNWSNGQWMTDAYA
TIVPEFGPNGQVQKRWGWKAPAEFNELCQKVTVLPNGKERFDAYNRMRDI
FEEEAPAVILYQPYDVYAARKDVHWKPVSFEMMEFRNNLSFG
Ligand information
Ligand IDALX
InChIInChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(6(10)14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6+/m1/s1
InChIKeySIUIENVKPUKAHD-DVKNGEFBSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC[C@H]1O[C@H](O)[C@H](O[P](O)(O)=O)[C@@H](O)[C@@H]1O
ACDLabs 12.01O=P(OC1C(O)C(O)C(OC1O)CO)(O)O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OP(=O)(O)O)O)O)O
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)OP(=O)(O)O)O)O)O
CACTVS 3.385OC[CH]1O[CH](O)[CH](O[P](O)(O)=O)[CH](O)[CH]1O
FormulaC6 H13 O9 P
Name2-O-phosphono-alpha-D-glucopyranose;
2-O-phosphono-alpha-D-glucose;
2-O-phosphono-D-glucose;
2-O-phosphono-glucose
ChEMBL
DrugBank
ZINCZINC000197875193
PDB chain8cko Chain A Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure 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]
PDB8cko A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Resolution1.421 Å
Binding residue
(original residue number in PDB)		S53 N54 Y145 W178 Y375 Y376 S419 N420 G421 T430 E434 E510
Binding residue
(residue number reindexed from 1)		S24 N25 Y116 W149 Y346 Y347 S390 N391 G392 T401 E405 E481
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:1904680 peptide transmembrane transporter activity
Biological Process
GO:0015833 peptide transport
GO:0055085 transmembrane transport
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space
GO:0042597 periplasmic space
GO:0043190 ATP-binding cassette (ABC) transporter complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8cko, PDBe:8cko, PDBj:8cko
PDBsum8cko
PubMed38058289
UniProtQ52012

[Back to BioLiP]