MolNFT v1 · #27662 · protein

3.10 a crystal structure of maspin, space group P 4 21 2

1XQG: “3.10 a crystal structure of maspin, space group P 4 21 2”. X-ray diffraction, 6 pockets (best druggability 0.74). MolNFT v1 #27662 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1XQG
Type: protein
Length: 756 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Maspin
UniProt: P36952
Pockets: 6 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 30% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Maspin	protein	378	32% helix, 30% strand	P36952

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	887	0.74	0.78	59	empty
2	52	0.34	0.78	13	empty
3	55	0.33	0.77	13	empty
4	69	0.33	0.76	17	empty
5	50	0.31	0.77	12	empty

Interfaces

1 interface between chains.

A–B · 522 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

1XQG · 3.10 A crystal structure of maspin, Space group P 4 21 2 · the same entry in another collection · chain A against A, TM-score 1.00
P36952 · AlphaFold monomer V2.0 prediction for serpin B5 (P36952) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P36952
Elsewhere: RCSB PDB 1XQG · PDBe 1XQG · UniProt P36952

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