MolNFT v1 · #76677 · protein

Crystal structure of the biofilm forming subunit of the E. COLI common pilus: donor strand complemented (dsc) ecpa

3QS3 · Fimbrillin matb homolog, ecpd: “Crystal structure of the biofilm forming subunit of the E. COLI common pilus: donor strand complemented (dsc)…”. X-ray diffraction, 20 pockets (best druggability 0.79). MolNFT v1 #76677 on GenesisL1…

PDB: 3QS3
Type: protein
Length: 2,103 residues
Chains: 12
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Fimbrillin matb homolog, ecpd
UniProt: Q8CWB9, C8U1Y2
Pockets: 20 · best druggability 0.79

Structure

x-ray diffraction · 5 distinct chains · 10% helix, 57% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C	Fimbrillin matb homolog, ecpd	protein	175	10% helix, 57% strand	Q8CWB9, C8U1Y2
B, D, E, G, K, L	Fimbrillin matb homolog, ecpd	protein	176	10% helix, 56% strand	Q8CWB9, C8U1Y2
F, I	Fimbrillin matb homolog, ecpd	protein	175	10% helix, 58% strand	Q8CWB9, C8U1Y2
H	Fimbrillin matb homolog, ecpd	protein	177	10% helix, 56% strand	Q8CWB9, C8U1Y2
J	Fimbrillin matb homolog, ecpd	protein	170	11% helix, 58% strand	Q8CWB9, C8U1Y2

Ligands and binding sites

FLC · Citrate anion · additive · 6 copies · chains B, D, F, G, I, K

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

Pockets

20 pockets found on a 1 Å grid, 17 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	707	0.79	0.84	78	empty
2	625	0.78	0.84	73	empty
3	680	0.78	0.83	81	empty
4	688	0.77	0.82	70	empty
5	978	0.77	0.79	109	FLC

Interfaces

27 interfaces between chains.

E–F · 761 Å² buried · 15 hydrogen bonds · protein-protein
A–B · 749 Å² buried · 13 hydrogen bonds · protein-protein
G–H · 738 Å² buried · 12 hydrogen bonds · protein-protein
I–J · 730 Å² buried · 13 hydrogen bonds · protein-protein
C–D · 717 Å² buried · 12 hydrogen bonds · protein-protein

Compared structures

3QS3 · Crystal structure of the biofilm forming subunit of the E. coli common pilus: donor… · the same entry in another collection · chain L against L, 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 Q8CWB9
Every structure of UniProt C8U1Y2
Elsewhere: RCSB PDB 3QS3 · PDBe 3QS3 · UniProt Q8CWB9 · UniProt C8U1Y2

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.