Structure of PDB 2m10 Chain A Binding Site BS01

Receptor Information
>2m10 Chain A (length=97) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPKPGDIFEVELAKNDNSLGICVTGGVNTSVRHGGIYVKAVIPQGAAESD
GRIHKGDRVLAVNGVSLEGATHKQAVCTLRNTGQVVHLLLEKGQSPT
Ligand information
Ligand ID33B
InChIInChI=1S/C16H14Cl2N4O8S2/c17-7-15(23)19-11-3-1-9(5-13(11)31(25,26)27)21-22-10-2-4-12(20-16(24)8-18)14(6-10)32(28,29)30/h1-6H,7-8H2,(H,19,23)(H,20,24)(H,25,26,27)(H,28,29,30)/b22-21+
InChIKeyXGDZZBFDOAZUPI-QURGRASLSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(c(cc1/N=N/c2ccc(c(c2)S(=O)(=O)O)NC(=O)CCl)S(=O)(=O)O)NC(=O)CCl
ACDLabs 12.01ClCC(=O)Nc2ccc(/N=N/c1cc(c(NC(=O)CCl)cc1)S(=O)(=O)O)cc2S(=O)(=O)O
CACTVS 3.370O[S](=O)(=O)c1cc(ccc1NC(=O)CCl)N=Nc2ccc(NC(=O)CCl)c(c2)[S](O)(=O)=O
OpenEye OEToolkits 1.7.6c1cc(c(cc1N=Nc2ccc(c(c2)S(=O)(=O)O)NC(=O)CCl)S(=O)(=O)O)NC(=O)CCl
FormulaC16 H14 Cl2 N4 O8 S2
Name3,3'-(E)-diazene-1,2-diylbis{6-[(chloroacetyl)amino]benzenesulfonic acid}
ChEMBL
DrugBank
ZINCZINC000098208389
PDB chain2m10 Chain A Residue 101 [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]
PDB2m10 Kinetic response of a photoperturbed allosteric protein.
ResolutionN/A
Binding residue
(original residue number in PDB)
C22 K39 H72 K73 V76 C77
Binding residue
(residue number reindexed from 1)
C22 K39 H72 K73 V76 C77
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.48: protein-tyrosine-phosphatase.
External links
PDB RCSB:2m10, PDBe:2m10, PDBj:2m10
PDBsum2m10
PubMed23818626
UniProtQ12923|PTN13_HUMAN Tyrosine-protein phosphatase non-receptor type 13 (Gene Name=PTPN13)

[Back to BioLiP]