Structure of PDB 1gph Chain 4 Binding Site BS03
Receptor Information
>1gph Chain 4 (length=465) Species:
1423
(Bacillus subtilis) [
Search protein sequence
] [
Download receptor structure
] [
Download structure with residue number starting from 1
] [
View receptor structure
]
CGVFGIWGHEEAPQITYYGLHSLQHRGQEGAGIVATDGEKLTAHKGQGLI
TEVFQNGELSKVKGKGAIGHVRYATAGGGGYENVQPLLFRSQNNGSLALA
HNGNLVNATQLKQQLENQGSIFQTSSDTEVLAHLIKRSGHFTLKDQIKNS
LSMLKGAYAFLIMTETEMIVALDPNGLRPLSIGMMGDAYVVASETCAFDV
VGATYLREVEPGEMLIINDEGMKSERFSMNINRSICSMEYIYFSRPDSNI
DGINVHSARKNLGKMLAQESAVEADVVTGVPDSSISAAIGYAEATGIPYE
LGLIKNRYVGRTFIQPSQALREQGVRMKLSAVRGVVEGKRVVMVDDSIVR
GTTSRRIVTMLREAGATEVHVKISSPPIAHPCFYGIDTSTHEELIASSHS
VDEIRQEIGADTLSFLSVEGLLKGIGRKYDDSNCGQCLACFTGKYPTEIY
QDTVLPHVKEAVLTK
Ligand information
Ligand ID
AMP
InChI
InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKey
UDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
Software
SMILES
CACTVS 3.370
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01
O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
Formula
C10 H14 N5 O7 P
Name
ADENOSINE MONOPHOSPHATE
ChEMBL
CHEMBL752
DrugBank
DB00131
ZINC
ZINC000003860156
PDB chain
1gph Chain 4 Residue 468 [
Download ligand structure
] [
Download structure with residue number starting from 1
] [
View ligand structure
]
Receptor-Ligand Complex Structure
Global view
Local view
Structure 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
]
PDB
1gph
Structure of the allosteric regulatory enzyme of purine biosynthesis.
Resolution
3.0 Å
Binding residue
(original residue number in PDB)
Y242 S244 R245 P281 D282 S283 K305
Binding residue
(residue number reindexed from 1)
Y242 S244 R245 P281 D282 S283 K305
Annotation score
2
Enzymatic activity
Catalytic site (original residue number in PDB)
E300 K305 Q315 K423
Catalytic site (residue number reindexed from 1)
E300 K305 Q315 K423
Enzyme Commision number
2.4.2.14
: amidophosphoribosyltransferase.
Gene Ontology
Molecular Function
GO:0000287
magnesium ion binding
GO:0004044
amidophosphoribosyltransferase activity
GO:0016757
glycosyltransferase activity
GO:0046872
metal ion binding
GO:0051536
iron-sulfur cluster binding
GO:0051539
4 iron, 4 sulfur cluster binding
Biological Process
GO:0006164
purine nucleotide biosynthetic process
GO:0006189
'de novo' IMP biosynthetic process
GO:0006541
glutamine metabolic process
GO:0009113
purine nucleobase biosynthetic process
View graph for
Molecular Function
View graph for
Biological Process
External links
PDB
RCSB:1gph
,
PDBe:1gph
,
PDBj:1gph
PDBsum
1gph
PubMed
8197456
UniProt
P00497
|PUR1_BACSU Amidophosphoribosyltransferase (Gene Name=purF)
[
Back to BioLiP
]