Structure of PDB 8cdo Chain A Binding Site BS06

Receptor Information
>8cdo Chain A (length=478) Species: 358 (Agrobacterium tumefaciens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DRRALRIGVNGLPPSLEPINGISNTGPRIINQIFDALIRRDYFADGAKGN
NIKLVPALAESFERIDDKSIRFKLRQGVKFHNGAEMTAEDVAFTFSSERL
WGDEAIKTVPNGRNYSPNWDEPVVEDKYTVVLRTKTPSYLIEKYLGSWLG
PIVPKEYYKSLGAVAFGNKPIGTGPYKFRELVANDHVTLEANDGYWGDKP
TASTITYQVVAEPATRVAGLISGEYDIITTLTPDDMALVDGYSDLETRGT
LIENLHMFTFNMNQPIFQNKTLRRALALAVNRPLIVEALWKNKASIPNGF
NFEFNLKEAKRLVKESGYDGTPITYHTMGNYYANAVPALMMMIEMWKAAG
ITVVPKIFAPGTTPKDSDILIRNWSNGQWLTDGLTTMVSEFGPGRQVQKR
WGWKAPAEFNNLCDQVAQLKDGEERSAAFNRLRDIFEDEAPAVLMYQPYD
VYAARKDVQWSPVSFETMEFRGNLNFKH
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 chain8cdo Chain A Residue 614 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8cdo A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Resolution1.32 Å
Binding residue
(original residue number in PDB)		S53 N54 W178 Y375 Y376 S419 N420 E434 E510
Binding residue
(residue number reindexed from 1)		S23 N24 W148 Y331 Y332 S375 N376 E390 E466
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8cdo, PDBe:8cdo, PDBj:8cdo
PDBsum8cdo
PubMed38058289
UniProtA5WYD2

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