Structure of PDB 1mc1 Chain A Binding Site BS03
Receptor Information
>1mc1 Chain A (length=491) Species:
1901
(Streptomyces clavuligerus) [
Search protein sequence
] [
Download receptor structure
] [
Download structure with residue number starting from 1
] [
View receptor structure
]
VLPAAFGFLASARGPVFATRGSHTDIDTPQGERSLAATLVHAPSVAPDRA
VARSLTGAPTTAVLAGEIYNRDELLSVLPAGPAPEGDAELVLRLLERYDL
HAFRLVNGRFATVVRTGDRVLLATDHAGSVPLYTCVAPGEVRASTEAKAL
AAGFPLADARRVAGLTGVYQVPAGAVMDIDLGSGTAVTHRTWTPGLSRRI
LPEGEAVAAVRAALEKAVAQRVTPGDTPLVVLSGGIDSSGVAACAHRAAG
ELDTVSMGTDTSNEFREARAVVDHLRTRHREITIPTTELLAQLPYAVWAS
ESVDPDIIEYLLPLTALYRALDGPERRILTGYGADIPLGGMHREDRLPAL
DTVLAHDMATFDGLNEMSPVLSTLAGHWTTHPYWDREVLDLLVSLEAGLK
RRHGRDKWVLRAAMADALPAETVNRPKLGVHEGSGTTSSFSRLLLDHGVA
EDRVHEAKRQVVRELFDLTVGGGRHPSEVDTDDVVRSVADR
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
1mc1 Chain A Residue 702 [
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
1mc1
The catalytic cycle of beta -lactam synthetase observed by x-ray crystallographic snapshots
Resolution
2.16 Å
Binding residue
(original residue number in PDB)
V247 S249 S254 S272 M273 G347 K443 V446
Binding residue
(residue number reindexed from 1)
V231 S233 S238 S256 M257 G331 K427 V430
Annotation score
5
Enzymatic activity
Catalytic site (original residue number in PDB)
A76 G77 D322 Y348 E382 K443
Catalytic site (residue number reindexed from 1)
A65 G66 D306 Y332 E366 K427
Enzyme Commision number
6.3.3.4
: (carboxyethyl)arginine beta-lactam-synthase.
Gene Ontology
Molecular Function
GO:0004066
asparagine synthase (glutamine-hydrolyzing) activity
GO:0005524
ATP binding
GO:0016874
ligase activity
GO:0034027
(carboxyethyl)arginine beta-lactam-synthase activity
GO:0046872
metal ion binding
Biological Process
GO:0006529
asparagine biosynthetic process
GO:0033050
clavulanic acid biosynthetic process
Cellular Component
GO:0005829
cytosol
View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:1mc1
,
PDBe:1mc1
,
PDBj:1mc1
PDBsum
1mc1
PubMed
12409610
UniProt
P0DJQ7
|BLS_STRCL Carboxyethyl-arginine beta-lactam-synthase (Gene Name=bls)
[
Back to BioLiP
]