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Crystal structure of S25-39 Fab unliganded 2

Analyse Crystal structure of S25-39 Fab unliganded 2 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7T0H
Type: protein
Length: 434 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: S25-39 Fab heavy chain; S25-39 Fab light chain
Ligands: BR
Pockets: 3 · best druggability 0.62

Structure

x-ray diffraction · 2 distinct chains · 7% helix, 51% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
H	S25-39 Fab heavy chain	protein	215	7% helix, 51% strand	—
L	S25-39 Fab light chain	protein	219	7% helix, 52% strand	—

Ligands and binding sites

BR · Bromide ion · ion · 5 copies · chains H, L

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

Pockets

3 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	579	0.62	0.74	63	BR
2	107	0.52	0.83	23	empty
3	52	0.26	0.74	15	BR

Interfaces

1 interface between chains.

H–L · 1763 Å² buried · 17 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

7T0H · Crystal structure of S25-39 Fab Unliganded 2 · 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
Elsewhere: RCSB PDB 7T0H · PDBe 7T0H

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