Structure of PDB 6cul Chain A Binding Site BS01

Receptor Information
>6cul Chain A (length=267) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KRKLAYIWSLRNAAADKAGQYVPYKGEQRYMKSVLESLVEALNQTALGDA
YELVGVIYDDDAELPRDQGKIKDYGFAYRPGQQWFYPADLQVQGKTLNDL
LLSVPSTYRRYPRGTPEHVAGKSDFERRLHDTLVELGADVVVLDGLLVIL
DELVRPGAPFARRIMNIHPGVTREDSPYERRGAYATLDALYGARGEKVVD
WATMEKVAVEPLYWTGASFHYVDGEVFHDVLKTEISPDDTILELRWNNFN
NSLFPALHEGLALLAEK
Ligand information
Ligand IDFGD
InChIInChI=1S/C21H21N5O6/c22-21-25-15-6-1-11(9-14(15)19(30)26-21)10-23-13-4-2-12(3-5-13)18(29)24-16(20(31)32)7-8-17(27)28/h1-6,9,16,23H,7-8,10H2,(H,24,29)(H,27,28)(H,31,32)(H3,22,25,26,30)/t16-/m1/s1
InChIKeyUQFCLENKCDVITL-MRXNPFEDSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01c1c(ccc(c1)NCc2cc3c(cc2)NC(N)=NC3=O)C(NC(C(=O)O)CCC(=O)O)=O
OpenEye OEToolkits 2.0.6c1cc(ccc1C(=O)N[C@H](CCC(=O)O)C(=O)O)NCc2ccc3c(c2)C(=O)N=C(N3)N
CACTVS 3.385NC1=NC(=O)c2cc(CNc3ccc(cc3)C(=O)N[C@H](CCC(O)=O)C(O)=O)ccc2N1
OpenEye OEToolkits 2.0.6c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCc2ccc3c(c2)C(=O)N=C(N3)N
CACTVS 3.385NC1=NC(=O)c2cc(CNc3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O)ccc2N1
FormulaC21 H21 N5 O6
NameN-(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl]amino}benzene-1-carbonyl)-D-glutamic acid
ChEMBL
DrugBank
ZINCZINC000028258717
PDB chain6cul Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6cul PvdF of pyoverdin biosynthesis is a structurally unique N10-formyltetrahydrofolate-dependent formyltransferase.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		P67 R68 G71 K72 D75
Binding residue
(residue number reindexed from 1)		P65 R66 G69 K70 D73
Annotation score2
Enzymatic activity
Enzyme Commision number 2.1.2.2: phosphoribosylglycinamide formyltransferase 1.
Gene Ontology
Molecular Function
GO:0004644 phosphoribosylglycinamide formyltransferase activity
GO:0016740 transferase activity
GO:0033608 formyl-CoA transferase activity
Biological Process
GO:0002049 pyoverdine biosynthetic process
GO:0006164 purine nucleotide biosynthetic process
GO:0006189 'de novo' IMP biosynthetic process
GO:0009058 biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6cul, PDBe:6cul, PDBj:6cul
PDBsum6cul
PubMed30689984
UniProtQ9I184

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