MolNFT v1 · #165974 · protein

FAB397 in complex with npna peptide

6UC5 · FAB397 heavy chain: “FAB397 in complex with npna peptide”. X-ray diffraction, 5 pockets (best druggability 0.59). MolNFT v1 #165974 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6UC5
Type: protein
Length: 446 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: FAB397 heavy chain; FAB397 light chain; Npna peptide
UniProt: A8K008, Q8TCD0
Pockets: 5 · best druggability 0.59

Structure

x-ray diffraction · 3 distinct chains · 9% helix, 47% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
H	FAB397 heavy chain	protein	217	14% helix, 47% strand	A8K008
L	FAB397 light chain	protein	218	6% helix, 50% strand	Q8TCD0
P	Npna peptide	protein	11	0% helix, 0% strand	—

Pockets

5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	449	0.59	0.75	58	empty
2	75	0.52	0.85	19	empty
3	54	0.29	0.75	16	empty
4	63	0.28	0.73	18	empty
5	52	0.27	0.74	15	empty

Interfaces

3 interfaces between chains.

H–L · 1846 Å² buried · 15 hydrogen bonds · protein-protein
L–P · 427 Å² buried · 10 hydrogen bonds · protein-protein
H–P · 339 Å² buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

6UC5 · Fab397 in complex with NPNA peptide · the same entry in another collection · chain H against H, 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 A8K008
Every structure of UniProt Q8TCD0
Elsewhere: RCSB PDB 6UC5 · PDBe 6UC5 · UniProt A8K008 · UniProt Q8TCD0

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