MolNFT v1 · #60291 · protein

Crystal structure of AD16 fiber knob

3CNC · Fiber protein: “Crystal structure of AD16 fiber knob”. X-ray diffraction, 14 pockets (best druggability 0.82). MolNFT v1 #60291 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3CNC
Type: protein
Length: 1,176 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Fiber protein
UniProt: Q67711
Pockets: 14 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 6% helix, 42% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E, F	Fiber protein	protein	196	6% helix, 42% strand	Q67711

Pockets

14 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	400	0.82	0.91	35	empty
2	407	0.82	0.90	36	empty
3	1093	0.81	0.83	101	empty
4	52	0.70	0.97	19	empty
5	50	0.68	0.97	16	empty

Interfaces

9 interfaces between chains.

A–B · 1066 Å² buried · 12 hydrogen bonds · protein-protein
D–F · 1065 Å² buried · 14 hydrogen bonds · protein-protein
E–F · 1064 Å² buried · 13 hydrogen bonds · protein-protein
A–C · 1063 Å² buried · 14 hydrogen bonds · protein-protein
D–E · 1062 Å² buried · 13 hydrogen bonds · protein-protein

Compared structures

3CNC · Crystal Structure of Ad16 fiber knob · the same entry in another collection · chain A against A, 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 Q67711
Elsewhere: RCSB PDB 3CNC · PDBe 3CNC · UniProt Q67711

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