MolNFT v1 · #47958 · protein

Crystal structure of a thermophilic serpin, tengpin, in the native state

2PEE · Serine protease inhibitor: “Crystal structure of a thermophilic serpin, tengpin, in the native state”. X-ray diffraction, 1 ligand (SO4), 7 pockets (best druggability 0.70). MolNFT v1 #47958 on GenesisL1: 3D structure, binding sites…

PDB: 2PEE
Type: protein
Length: 774 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Serine protease inhibitor
UniProt: Q8R9P5
Ligands: SO4
Pockets: 7 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 29% helix, 33% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Serine protease inhibitor	protein	387	29% helix, 33% strand	Q8R9P5

Ligands and binding sites

SO4 · Sulfate ion · ion · chains A
GOL · Glycerol · additive · 2 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	882	0.70	0.76	68	empty
2	200	0.52	0.77	23	GOL
3	97	0.47	0.80	19	empty
4	128	0.44	0.76	23	empty
5	61	0.39	0.80	17	empty

Interfaces

1 interface between chains.

A–B · 1103 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

2PEE · Crystal Structure of a Thermophilic Serpin, Tengpin, in the Native State · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt Q8R9P5
Elsewhere: RCSB PDB 2PEE · PDBe 2PEE · UniProt Q8R9P5

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