MolNFT v1 · #81181 · protein

Crystal structure of SEFD_DSCA in D2O

3UIZ · Chimera protein of sefd and sefa: “Crystal structure of SEFD_DSCA in D2O”. X-ray diffraction, 9 pockets (best druggability 0.71). MolNFT v1 #81181 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3UIZ
Type: protein
Length: 777 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Chimera protein of sefd and sefa
UniProt: Q53997, P12061
Pockets: 9 · best druggability 0.71

Structure

x-ray diffraction · 6 distinct chains · 0% helix, 47% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Chimera protein of sefd and sefa	protein	133	0% helix, 54% strand	Q53997, P12061
B	Chimera protein of sefd and sefa	protein	134	0% helix, 49% strand	Q53997, P12061
C	Chimera protein of sefd and sefa	protein	134	0% helix, 47% strand	Q53997, P12061
D	Chimera protein of sefd and sefa	protein	136	0% helix, 49% strand	Q53997, P12061
E	Chimera protein of sefd and sefa	protein	125	0% helix, 52% strand	Q53997, P12061
F	Chimera protein of sefd and sefa	protein	115	0% helix, 30% strand	Q53997, P12061

Pockets

9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	888	0.71	0.76	113	empty
2	97	0.69	0.92	33	empty
3	493	0.63	0.76	53	empty
4	183	0.54	0.79	39	empty
5	164	0.53	0.79	28	empty

Interfaces

9 interfaces between chains.

B–D · 1078 Å² buried · 20 hydrogen bonds · protein-protein
A–E · 1044 Å² buried · 20 hydrogen bonds · protein-protein
A–D · 305 Å² buried · 4 hydrogen bonds · protein-protein
C–E · 302 Å² buried · 5 hydrogen bonds · protein-protein
B–F · 297 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

3UIZ · Crystal structure of SefD_dscA in D2O · the same entry in another collection · chain F against F, TM-score 1.00
P12061 · AlphaFold monomer V2.0 prediction for fimbrial protein (P12061) · a predicted model of the same protein · chain B against A, TM-score 0.68

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 Q53997
Every structure of UniProt P12061
Elsewhere: RCSB PDB 3UIZ · PDBe 3UIZ · UniProt Q53997 · UniProt P12061

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