MolNFT v1 · #128962 · protein

Crystal structure of the pseudomonas functional amyloid secretion protein fapf - R157A mutant

5O68: “Crystal structure of the pseudomonas functional amyloid secretion protein fapf - R157A mutant”. X-ray diffraction, 20 pockets (best druggability 0.79). MolNFT v1 #128962 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5O68
Type: protein
Length: 3,203 residues
Chains: 12
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Fapf
UniProt: C4IN73
Pockets: 20 · best druggability 0.79

Structure

x-ray diffraction · 12 distinct chains · 4% helix, 58% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Fapf	protein	272	4% helix, 56% strand	C4IN73
B	Fapf	protein	274	4% helix, 59% strand	C4IN73
C	Fapf	protein	262	4% helix, 60% strand	C4IN73
D	Fapf	protein	271	4% helix, 58% strand	C4IN73
E	Fapf	protein	273	4% helix, 57% strand	C4IN73
F	Fapf	protein	254	4% helix, 57% strand	C4IN73
G	Fapf	protein	271	4% helix, 58% strand	C4IN73
H	Fapf	protein	272	4% helix, 56% strand	C4IN73
I	Fapf	protein	256	4% helix, 61% strand	C4IN73
J	Fapf	protein	268	4% helix, 56% strand	C4IN73
K	Fapf	protein	272	4% helix, 59% strand	C4IN73
L	Fapf	protein	258	4% helix, 60% strand	C4IN73

Ligands and binding sites

C8E · (hydroxyethyloxy)tri(ethyloxy)octane · additive · 5 copies · chains A, C
LDA · Lauryl dimethylamine-N-oxide · additive · 4 copies · chains A, B, C, I

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1010	0.79	0.81	98	empty
2	1018	0.79	0.81	93	LDA
3	1074	0.79	0.81	97	C8E
4	954	0.79	0.81	97	empty
5	1001	0.79	0.81	95	LDA

Interfaces

14 interfaces between chains.

J–K · 847 Å² buried · 4 hydrogen bonds · protein-protein
G–H · 825 Å² buried · 6 hydrogen bonds · protein-protein
A–B · 791 Å² buried · 3 hydrogen bonds · protein-protein
D–E · 790 Å² buried · 4 hydrogen bonds · protein-protein
A–C · 789 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

5O68 · Crystal Structure of the Pseudomonas functional amyloid secretion protein FapF - R157A… · the same entry in another collection · chain E against E, 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 C4IN73
Elsewhere: RCSB PDB 5O68 · PDBe 5O68 · UniProt C4IN73

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