Structure of PDB 1nu5 Chain A Binding Site BS01

Receptor Information
>1nu5 Chain A (length=369) Species: 65067 (Pseudomonas sp. P51) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKIEAISTTIVDVPTRRPLQMSFTTVHKQSYVIVQVKAGGLVGIGEGGSV
GGPTWGSESAETIKVIIDNYLAPLLVGKDASNLSQARVLMDRAVTGNLSA
KAAIDIALHDLKARALNLSIADLIGGTMRTSIPIAWTLASGDTARDIDSA
LEMIETRRHNRFKVKLGARTPAQDLEHIRSIVKAVGDRASVRVDVNQGWD
EQTASIWIPRLEEAGVELVEQPVPRANFGALRRLTEQNGVAILADESLSS
LSSAFELARDHAVDAFSLKLCNMGGIANTLKVAAVAEAAGISSYGGTMLD
STVGTAAALHVYATLPSLPYGCELIGPWVLGDRLTQQDLEIKDFEVHLPL
GSGLGVDLDHDKVRHYTRA
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain1nu5 Chain A Residue 371 [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]
PDB1nu5 The structure of Pseudomonas P51 Cl-muconate lactonizing enzyme: co-evolution of structure and dynamics with the dehalogenation function.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		D194 E220 D245
Binding residue
(residue number reindexed from 1)		D194 E220 D245
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) L19 S49 G52 T137 K163 K165 E176 D194 N196 E220 D245 E246 S247 K269 G296 T297 M298 C322 E323 L324
Catalytic site (residue number reindexed from 1) L19 S49 G52 T137 K163 K165 E176 D194 N196 E220 D245 E246 S247 K269 G296 T297 M298 C322 E323 L324
Enzyme Commision number 5.5.1.7: chloromuconate cycloisomerase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016853 isomerase activity
GO:0018849 muconate cycloisomerase activity
GO:0018850 chloromuconate cycloisomerase activity
GO:0030145 manganese ion binding
GO:0046872 metal ion binding
Biological Process
GO:0009056 catabolic process
GO:0009063 amino acid catabolic process
GO:0046300 2,4-dichlorophenoxyacetic acid catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1nu5, PDBe:1nu5, PDBj:1nu5
PDBsum1nu5
PubMed12930985
UniProtP27099|TCBD_PSESQ Chloromuconate cycloisomerase (Gene Name=tcbD)

[Back to BioLiP]