7MNA: PTP1B 1-284 F225Y-R199N

PTP1B 1-284 F225Y-R199N in complex with TCS401. Determined by X-ray diffraction at 1.47 Å resolution. Released 18 May 2022.

Method: X-ray diffraction
Resolution: 1.47 Å
Organism: Homo sapiens
Chains: 1
Atoms: 2,503
Mol. weight: 34.13 kDa
Ligands: OTA
Released: 18 May 2022

Explore 7MNA in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

7MNA contains 13 α-helices and 11 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 13 helices, 11 β-strands

Element	Residues	Length	Sheet
α-helix	3-13	11
α-helix	16-26	11
α-helix	38-43	6
α-helix	53-55	3
β-strand	56-58	3	1
α-helix	59	1
β-strand	66-74	9	1
β-strand	79-84	6	1
α-helix	85-88	4
α-helix	92-102	11
β-strand	106-109	4	1
β-strand	114-115	2	2
β-strand	118-119	2	2
β-strand	133-135	3	1
β-strand	140-149	10	1
β-strand	153-162	10	1
β-strand	168-176	9	1
α-helix	188-200	13
α-helix	210	1
β-strand	211-214	4	1
α-helix	220-235	16
α-helix	241-243	3
α-helix	246-253	8
α-helix	264-279	16

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Tyrosine-protein phosphatase non-receptor type 1	A	protein	289	Homo sapiens	P18031 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>7MNA_1 Tyrosine-protein phosphatase non-receptor type 1 (chains A)
GHMASMEMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVSPFDHS
RIKLHQEDNDYINASLIKMEEAQRSYILTQGPLPNTCGHFWEMVWEQKSRGVVMLNRVME
KGSLKCAQYWPQKEEKEMIFEDTNLKLTLISEDIKSYYTVRQLELENLTTQETREILHFH
YTTWPDFGVPESPASFLNFLFKVNESGSLSPEHGPVVVHCSAGIGRSGTYCLADTCLLLM
DKRKDPSSVDIKKVLLEMRKFRMGLIQTADQLRFSYLAVIEGAKFIMGD

Ligands and cofactors

ID	Name	Formula	Copies
OTA	2-(oxalyl-amino)-4,5,6,7-tetrahydro-THIENO[2,3-c]pyridine-3-carboxylic acid	C10 H10 N2 O5 S	1

Water and common crystallization additives (GOL, CL, TRS) are not listed.

Primary citation

Conserved conformational dynamics determine enzyme activity. Torgeson, K.R., Clarkson, M.W., Granata, D. et al. Sci Adv (2022) 8:eabo5546-eabo5546. DOI 10.1126/sciadv.abo5546 · PubMed

Other PDB entries of the same protein (UniProt P18031 (AlphaFold model), which also has an AlphaFold model), best resolution first:

7MN9 1.24 Å, PTP1B 1-284 F225Y-R199N
7MKZ 1.4 Å, PTP1B F225Y mutant, open state
9C66 1.4 Å, Structure of the Mena EVH1 domain bound to the polyproline segment of PTP1B
8U1E 1.43 Å, Apo protein tyrosine phosphatase 1B (PTP1B) at high resolution (1.43 A) in space group…
8G65 1.45 Å, Wildtype PTP1b in complex with DES4799
7MOU 1.48 Å, PTP1B F225Y-R199N-L195R
2CM2 1.5 Å, Structure of Protein Tyrosine Phosphatase 1B (P212121)
7GTW 1.51 Å, PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering,…
7GTX 1.51 Å, PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering,…
5QGF 1.51 Å, PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with…
7GU5 1.52 Å, PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering,…
7GU9 1.53 Å, PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering,…

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