MolNFT v1 · #170037 · protein

APO AB 5B1

6XUL · Heavy chain: “APO AB 5B1”. X-ray diffraction, 20 pockets (best druggability 0.72). MolNFT v1 #170037 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6XUL
Type: protein
Length: 2,611 residues
Chains: 12
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Heavy chain; Light chain
Pockets: 20 · best druggability 0.72

Structure

x-ray diffraction · 3 distinct chains · 8% helix, 52% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C, E, J, H	Heavy chain	protein	218	8% helix, 52% strand	—
B, D, F, I, K, L	Light chain	protein	217	7% helix, 50% strand	—
G	Heavy chain	protein	219	9% helix, 53% strand	—

Pockets

20 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1117	0.72	0.76	130	empty
2	938	0.72	0.76	91	empty
3	636	0.64	0.74	65	empty
4	580	0.62	0.74	61	empty
5	368	0.61	0.77	65	empty

Interfaces

13 interfaces between chains.

E–F · 1696 Å² buried · 16 hydrogen bonds · protein-protein
G–I · 1680 Å² buried · 17 hydrogen bonds · protein-protein
C–D · 1669 Å² buried · 16 hydrogen bonds · protein-protein
H–L · 1653 Å² buried · 15 hydrogen bonds · protein-protein
J–K · 1648 Å² buried · 21 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 24 disulfide (disulfide).

Compared structures

6XUL · Apo Ab 5b1 · 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
Elsewhere: RCSB PDB 6XUL · PDBe 6XUL

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