Structure of PDB 7x0f Chain B Binding Site BS01

Receptor Information
>7x0f Chain B (length=452) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDPLEQALHQAWQAQLGAPPRAGQGFYAAGGDSLRAVHLLATLRQRLSRR
VPLQAFAGGPATPEALLELLRQAAAGLSLAERRLWVAQQLAPEDTSYNLL
AHLRIVGATADAIEQALRQLLERHVALRRRVETPQPHALAAHAVPLQRLL
ASDAVHAERLLEDGVRREGARVFDLAHEAPARLLLVVTRDSARADLLLSV
HHYAFDDVSLAVFAAELKTLLDGGRLGVLASTPEQVAARERAALASGRLD
RVAERWAERLLPLAAGQRLALPVSAAVHAACRALAERTSVSPFSAALQAF
AEVLGAELGVDDLLVGVALAGRSRLEMQGLVGCFVNLLPLAVGLRPEQSV
EWRLRQVGHDLLELLEHQDVPLECVTQALRQRGASGLPIRIACGAHGVRV
EADFIPVPGARLDLTLWLEDLAVWTGVSAIFDLHRIERLHQAWERRLLAN
AG
Ligand information
Ligand IDPNS
InChIInChI=1S/C11H23N2O7PS/c1-11(2,7-20-21(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-22/h9,15,22H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19)/t9-/m0/s1
InChIKeyJDMUPRLRUUMCTL-VIFPVBQESA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(C)(CO[P](O)(O)=O)[C@@H](O)C(=O)NCCC(=O)NCCS
ACDLabs 10.04O=C(NCCS)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O
OpenEye OEToolkits 1.5.0CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O
OpenEye OEToolkits 1.5.0CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O
CACTVS 3.341CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(=O)NCCS
FormulaC11 H23 N2 O7 P S
Name4'-PHOSPHOPANTETHEINE
ChEMBL
DrugBankDB03912
ZINC
PDB chain7x0f Chain B Residue 1301 [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]
PDB7x0f Structural insights into the substrate-bound condensation domains of non-ribosomal peptide synthetase AmbB.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		S768 D958 S1058 F1060 A1085 V1102 A1162 W1194
Binding residue
(residue number reindexed from 1)		S33 D207 S291 F293 A318 V335 A395 W417
Annotation score1
Enzymatic activity
Enzyme Commision number 6.2.1.67: L-alanine--[L-alanyl-carrier protein] ligase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity

View graph for
Molecular Function
External links
PDB RCSB:7x0f, PDBe:7x0f, PDBj:7x0f
PDBsum7x0f
PubMed35354859
UniProtQ9I1H0|AMBB_PSEAE AMB antimetabolite synthase AmbB (Gene Name=ambB)

[Back to BioLiP]