Structure of PDB 5uos Chain A Binding Site BS03

Receptor Information
>5uos Chain A (length=239) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNAMEPKVAELKQKIEDTLCPFGFEVYPFQVAWYNELLPPAFHLPLPGPT
LAFLVLSTPAMFDRALKPFLQSCHLRMLTDPVDQCVAYHLGRVRESLPEL
QIEIIADYEVHPNRRPKILAQTAAHVAGAAYYYQRQDVEADPWGNQRISG
VCIHPRFGGWFAIRGVVLLPGIEVPDLPPRKPHDCVPTRADRIALLEGFN
FHWRDWTYRDAVTPQERYSEEQKAYFSTPPAQRLALLGL
Ligand information
Ligand ID171
InChIInChI=1S/C8H11NO3S/c10-13(11,12)7-6-9-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,10,11,12)
InChIKeyIAVHKMVGTPXJIC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O[S](=O)(=O)CCNc1ccccc1
ACDLabs 10.04O=S(=O)(O)CCNc1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)NCCS(=O)(=O)O
FormulaC8 H11 N O3 S
Name2-PHENYLAMINO-ETHANESULFONIC ACID
ChEMBL
DrugBankDB02283
ZINCZINC000002170599
PDB chain5uos Chain A Residue 304 [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]
PDB5uos Antivitamin B12 Inhibition of the Human B12 -Processing Enzyme CblC: Crystal Structure of an Inactive Ternary Complex with Glutathione as the Cosubstrate.
Resolution2.51 Å
Binding residue
(original residue number in PDB)		A84 E106
Binding residue
(residue number reindexed from 1)		A87 E109
Annotation score1
Enzymatic activity
Enzyme Commision number 1.16.1.6: cyanocobalamin reductase.
2.5.1.151: alkylcobalamin dealkylase.
External links
PDB RCSB:5uos, PDBe:5uos, PDBj:5uos
PDBsum5uos
PubMed28544088
UniProtQ9Y4U1|MMAC_HUMAN Cyanocobalamin reductase / alkylcobalamin dealkylase (Gene Name=MMACHC)

[Back to BioLiP]