MolNFT v1 · #48493 · protein

Crystallographic structure of sura first peptidyl-prolyl isomerase domain complexed with peptide nftlkfwdifrk

2PV2 · Chaperone sura: “Crystallographic structure of sura first peptidyl-prolyl isomerase domain complexed with peptide nftlkfwdifrk”. X-ray diffraction, 1 pocket (best druggability 0.74). MolNFT v1 #48493 on GenesisL1: 3D structure…

PDB: 2PV2
Type: protein
Length: 436 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Chaperone sura; C-peptide
EC: 5.2.1.8
UniProt: P0ABZ6
Pockets: 1 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 43% helix, 30% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Chaperone sura (EC 5.2.1.8)	protein	103	40% helix, 33% strand	P0ABZ6
E, F	C-peptide	protein	12	67% helix, 0% strand	—

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	999	0.74	0.77	71	empty

Interfaces

9 interfaces between chains.

A–E · 643 Å² buried · 4 hydrogen bonds · protein-protein
C–F · 624 Å² buried · 5 hydrogen bonds · protein-protein
B–E · 620 Å² buried · 1 hydrogen bond · protein-protein
D–F · 601 Å² buried · 1 hydrogen bond · protein-protein
A–B · 404 Å² buried · 8 hydrogen bonds · protein-protein

Compared structures

2PV2 · Crystallographic Structure of SurA first peptidyl-prolyl isomerase domain complexed with… · the same entry in another collection · chain C against C, TM-score 1.00
P0ABZ6 · AlphaFold monomer V2.0 prediction for chaperone sura (P0ABZ6) · 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 P0ABZ6
Elsewhere: RCSB PDB 2PV2 · PDBe 2PV2 · UniProt P0ABZ6

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