Structure of PDB 1nba Chain A Binding Site BS01

Receptor Information
>1nba Chain A (length=253) Species: 1667 (Arthrobacter sp.) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TFNDIEARLAAVLEEAFEAGTSIYNERGFKRRIGYGNRPAVIHIDLANAW
TQPGHPFSCPGMETIIPNVQRINEAARAKGVPVFYTTNVYRNRDASSGTN
DMGLWYSKIPTETLPADSYWAQIDDRIAPADGEVVIEKNRASAFPGTNLE
LFLTSNRIDTLIVTGATAAGCVRHTVEDAIAKGFRPIIPRETIGDRVPGV
VQWNLYDIDNKFGDVESTDSVVQYLDALPQFEDTVPKTLSDPQPEVEAPA
DPV
Ligand information
Ligand IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain1nba Chain A Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1nba Crystal structure analysis, refinement and enzymatic reaction mechanism of N-carbamoylsarcosine amidohydrolase from Arthrobacter sp. at 2.0 A resolution.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		W56 T173 C177 R202
Binding residue
(residue number reindexed from 1)		W50 T167 C171 R196
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D51 K144 A172 T173 C177
Catalytic site (residue number reindexed from 1) D45 K138 A166 T167 C171
Enzyme Commision number 3.5.1.59: N-carbamoylsarcosine amidase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0050127 N-carbamoylsarcosine amidase activity
Biological Process
GO:0006602 creatinine catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1nba, PDBe:1nba, PDBj:1nba
PDBsum1nba
PubMed1381445
UniProtP32400|CSH_ARTSP N-carbamoylsarcosine amidase

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