Structure of PDB 6bmw Chain B

Receptor sequence

>6bmwB (length=473) Species: 9606 (Homo sapiens)

RRWFHPNITGVEAENLLLTRGVDGSFLARPSKSNPGDFTLSVRRNGAVTH
IKIQNTGDYYDLYGGEKFATLAELVQYYMEHHGQLKDVIELKYPLNCADP
TSERWFHGHLAEKLLTEKGKHGSFLVREPGDFVLSVRTSKVTHVMIRCQE
LKYDVGGGERFDSLTDLVEHYKKNPMVETLGTVLQLKQPLNTTRINAAEI
ESRVRELSKQGFWEEFETLQQQECKLLYSRKEGQRQENKNKNRYKNILPF
DHTRVVLHVSDYINANIIMPPKKSYIATQGCLQNTVNDFWRMVFQENSRV
IVMTTKEVERGKSKCVKYWPDEYALKEYGVMRVRNVKESAAHDYTLRELK
LSKVGQGNTERTVWQYHFRTWPDHGVPSDPGGVLDFLEEVHHKQESIMDA
GPVVVHCSAGIGRTGTFIVIDILIDIIREKGVDCDIDVPKTIQMVRSQRS
GMVQTEAQYRFIYMAVQHYIETL

3D structure

• PDB: 6bmw Dual Allosteric Inhibition of SHP2 Phosphatase.
• Chain: B
• Resolution: 2.1 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): D425 C459 R465 T466 Q506
• Catalytic site (residue number reindexed from 1): D373 C407 R413 T414 Q454
• Enzyme Commision number: 3.1.3.48: protein-tyrosine-phosphatase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	5OD	B	E110 R111 F113 T219 E249 T253 L254 Q257 P491 K492 Q495	E103 R104 F106 T193 E214 T218 L219 Q222 P439 K440 Q443	BindingDB: IC50=70.0nM
BS02	DZS	B	Q79 Y80 E83 H84 L262 Y263 S264 R265 K266 Q269 N281 L283	Q76 Y77 E80 H81 L227 Y228 S229 R230 K231 Q234 N246 L248

Gene Ontology

Molecular Function

• GO:0004725 protein tyrosine phosphatase activity

Biological Process

• GO:0006470 protein dephosphorylation
• GO:0016311 dephosphorylation

External links

• PDB: RCSB:6bmw, PDBe:6bmw, PDBj:6bmw
• PDBsum: 6bmw
• PubMed: 29304282
• UniProt: Q06124|PTN11_HUMAN Tyrosine-protein phosphatase non-receptor type 11 (Gene Name=PTPN11)