Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

1LQF

Structure of PTP1b in Complex with a Peptidic Bisphosphonate Inhibitor

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004725	molecular_function	protein tyrosine phosphatase activity
A	0006470	biological_process	protein dephosphorylation
A	0016311	biological_process	dephosphorylation
B	0004725	molecular_function	protein tyrosine phosphatase activity
B	0006470	biological_process	protein dephosphorylation
B	0016311	biological_process	dephosphorylation
C	0004725	molecular_function	protein tyrosine phosphatase activity
C	0006470	biological_process	protein dephosphorylation
C	0016311	biological_process	dephosphorylation
D	0004725	molecular_function	protein tyrosine phosphatase activity
D	0006470	biological_process	protein dephosphorylation
D	0016311	biological_process	dephosphorylation

Functional Information from PDB Data

site_id	AC1
Number of Residues	19
Details	BINDING SITE FOR RESIDUE BGD A 802

Chain	Residue
A	ARG545
A	SER716
A	ALA717
A	GLY718
A	ILE719
A	GLY720
A	ARG721
A	GLN762
A	HOH3068
A	HOH3324
B	GLN666
A	TYR546
A	ARG547
A	ASP548
A	SER618
A	LEU619
A	ASP681
A	PHE682
A	CYS715

site_id	AC2
Number of Residues	18
Details	BINDING SITE FOR RESIDUE BGD B 803

Chain	Residue
B	ARG545
B	TYR546
B	ARG547
B	ASP548
B	SER618
B	LEU619
B	ASP681
B	PHE682
B	CYS715
B	SER716
B	ALA717
B	GLY718
B	ILE719
B	GLY720
B	ARG721
B	GLN762
B	HOH3150
B	HOH3491

site_id	AC3
Number of Residues	15
Details	BINDING SITE FOR RESIDUE BGD C 804

Chain	Residue
C	TYR546
C	ARG547
C	ASP548
C	SER618
C	PHE682
C	CYS715
C	SER716
C	ALA717
C	GLY718
C	ILE719
C	GLY720
C	ARG721
C	GLN762
C	HOH3219
C	HOH3418

site_id	AC4
Number of Residues	19
Details	BINDING SITE FOR RESIDUE BGD D 805

Chain	Residue
D	ARG545
D	TYR546
D	ARG547
D	ASP548
D	SER618
D	LEU619
D	LYS620
D	ASP681
D	PHE682
D	CYS715
D	SER716
D	ALA717
D	GLY718
D	ILE719
D	GLY720
D	ARG721
D	GLN762
D	HOH3275
D	HOH3280

Functional Information from PROSITE/UniProt

site_id	PS00383
Number of Residues	11
Details	TYR_PHOSPHATASE_1 Tyrosine specific protein phosphatases active site. VHCsaGigRSG

Chain	Residue	Details
A	VAL713-GLY723

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	ACT_SITE: Phosphocysteine intermediate

Chain	Residue	Details
A	CYS715
B	CYS715
C	CYS715
D	CYS715

site_id	SWS_FT_FI2
Number of Residues	4
Details	BINDING:

Chain	Residue	Details
A	ASP681
B	ASP681
C	ASP681
D	ASP681

site_id	SWS_FT_FI3
Number of Residues	8
Details	BINDING: BINDING => ECO:0000250

Chain	Residue	Details
A	CYS715
A	GLN762
B	CYS715
B	GLN762
C	CYS715
C	GLN762
D	CYS715
D	GLN762

site_id	SWS_FT_FI4
Number of Residues	4
Details	MOD_RES: N-acetylmethionine => ECO:0000269\|PubMed:2546149

Chain	Residue	Details
A	MET501
B	MET501
C	MET501
D	MET501

site_id	SWS_FT_FI5
Number of Residues	4
Details	MOD_RES: Phosphotyrosine => ECO:0007744\|PubMed:15592455

Chain	Residue	Details
A	TYR520
B	TYR520
C	TYR520
D	TYR520

site_id	SWS_FT_FI6
Number of Residues	4
Details	MOD_RES: Phosphoserine; by PKB/AKT1, CLK1 and CLK2 => ECO:0000269\|PubMed:10480872, ECO:0000269\|PubMed:11579209, ECO:0007744\|PubMed:23186163

Chain	Residue	Details
A	SER550
B	SER550
C	SER550
D	SER550

site_id	SWS_FT_FI7
Number of Residues	4
Details	MOD_RES: Phosphotyrosine; by EGFR => ECO:0000269\|PubMed:9355745

Chain	Residue	Details
A	TYR566
B	TYR566
C	TYR566
D	TYR566

site_id	SWS_FT_FI8
Number of Residues	4
Details	MOD_RES: S-nitrosocysteine; in reversibly inhibited form => ECO:0000269\|PubMed:22169477

Chain	Residue	Details
A	CYS715
B	CYS715
C	CYS715
D	CYS715

site_id	SWS_FT_FI9
Number of Residues	8
Details	MOD_RES: Phosphoserine; by CLK1 and CLK2 => ECO:0000269\|PubMed:10480872

Chain	Residue	Details
A	SER742
A	SER743
B	SER742
B	SER743
C	SER742
C	SER743
D	SER742
D	SER743

site_id	SWS_FT_FI10
Number of Residues	8
Details	CROSSLNK: N,N-(cysteine-1,S-diyl)serine (Cys-Ser); in inhibited form => ECO:0000269\|PubMed:12802338, ECO:0000269\|PubMed:12802339

Chain	Residue	Details
A	CYS715
A	SER716
B	CYS715
B	SER716
C	CYS715
C	SER716
D	CYS715
D	SER716

Catalytic Information from CSA

site_id	CSA1
Number of Residues	3
Details	Annotated By Reference To The Literature 1d5r

Chain	Residue	Details
A	ARG721
A	CYS715
A	ASP681

site_id	CSA2
Number of Residues	3
Details	Annotated By Reference To The Literature 1d5r

Chain	Residue	Details
B	ARG721
B	CYS715
B	ASP681

site_id	CSA3
Number of Residues	3
Details	Annotated By Reference To The Literature 1d5r

Chain	Residue	Details
C	ARG721
C	CYS715
C	ASP681

site_id	CSA4
Number of Residues	3
Details	Annotated By Reference To The Literature 1d5r

Chain	Residue	Details
D	ARG721
D	CYS715
D	ASP681

site_id	CSA5
Number of Residues	4
Details	Annotated By Reference To The Literature 1d5r

Chain	Residue	Details
A	ARG721
A	SER722
A	CYS715
A	ASP681

site_id	CSA6
Number of Residues	4
Details	Annotated By Reference To The Literature 1d5r

Chain	Residue	Details
B	ARG721
B	SER722
B	CYS715
B	ASP681

site_id	CSA7
Number of Residues	4
Details	Annotated By Reference To The Literature 1d5r

Chain	Residue	Details
C	ARG721
C	SER722
C	CYS715
C	ASP681

site_id	CSA8
Number of Residues	4
Details	Annotated By Reference To The Literature 1d5r

Chain	Residue	Details
D	ARG721
D	SER722
D	CYS715
D	ASP681

site_id	MCSA1
Number of Residues	5
Details	M-CSA 469

Chain	Residue	Details
A	ASP681	proton shuttle (general acid/base)
A	CYS715	covalent catalysis
A	ARG721	activator, electrostatic stabiliser
A	SER722	activator, electrostatic stabiliser
A	GLN762	steric role

site_id	MCSA2
Number of Residues	5
Details	M-CSA 469

Chain	Residue	Details
B	ASP681	proton shuttle (general acid/base)
B	CYS715	covalent catalysis
B	ARG721	activator, electrostatic stabiliser
B	SER722	activator, electrostatic stabiliser
B	GLN762	steric role

site_id	MCSA3
Number of Residues	5
Details	M-CSA 469

Chain	Residue	Details
C	ASP681	proton shuttle (general acid/base)
C	CYS715	covalent catalysis
C	ARG721	activator, electrostatic stabiliser
C	SER722	activator, electrostatic stabiliser
C	GLN762	steric role

site_id	MCSA4
Number of Residues	5
Details	M-CSA 469

Chain	Residue	Details
D	ASP681	proton shuttle (general acid/base)
D	CYS715	covalent catalysis
D	ARG721	activator, electrostatic stabiliser
D	SER722	activator, electrostatic stabiliser
D	GLN762	steric role

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)