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 ID
33B
InChI
InChI=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+
InChIKey
XGDZZBFDOAZUPI-QURGRASLSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.6
c1cc(c(cc1/N=N/c2ccc(c(c2)S(=O)(=O)O)NC(=O)CCl)S(=O)(=O)O)NC(=O)CCl
ACDLabs 12.01
ClCC(=O)Nc2ccc(/N=N/c1cc(c(NC(=O)CCl)cc1)S(=O)(=O)O)cc2S(=O)(=O)O
CACTVS 3.370
O[S](=O)(=O)c1cc(ccc1NC(=O)CCl)N=Nc2ccc(NC(=O)CCl)c(c2)[S](O)(=O)=O
OpenEye OEToolkits 1.7.6
c1cc(c(cc1N=Nc2ccc(c(c2)S(=O)(=O)O)NC(=O)CCl)S(=O)(=O)O)NC(=O)CCl
Formula
C16 H14 Cl2 N4 O8 S2
Name
3,3'-(E)-diazene-1,2-diylbis{6-[(chloroacetyl)amino]benzenesulfonic acid}
ChEMBL
DrugBank
ZINC
ZINC000098208389
PDB chain
2m10 Chain A Residue 101 [
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
2m10
Kinetic response of a photoperturbed allosteric protein.
Resolution
N/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 score
1
Enzymatic activity
Enzyme Commision number
3.1.3.48
: protein-tyrosine-phosphatase.
External links
PDB
RCSB:2m10
,
PDBe:2m10
,
PDBj:2m10
PDBsum
2m10
PubMed
23818626
UniProt
Q12923
|PTN13_HUMAN Tyrosine-protein phosphatase non-receptor type 13 (Gene Name=PTPN13)
[
Back to BioLiP
]