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Crystal structure of tremelimumab Fab

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

PDB: 5GGU
Type: protein
Length: 862 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Heavy chain; Light chain
Pockets: 7 · best druggability 0.80

Structure

x-ray diffraction · 2 distinct chains · 6% helix, 51% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
H, A	Heavy chain	protein	218	7% helix, 52% strand	—
L, B	Light chain	protein	213	5% helix, 50% strand	—

Pockets

7 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	602	0.80	0.86	71	empty
2	414	0.76	0.86	67	empty
3	450	0.74	0.84	57	empty
4	108	0.66	0.90	19	empty
5	152	0.58	0.83	34	empty

Interfaces

6 interfaces between chains.

H–L · 1806 Å² buried · 15 hydrogen bonds · protein-protein
A–B · 1797 Å² buried · 16 hydrogen bonds · protein-protein
L–B · 985 Å² buried · 11 hydrogen bonds · protein-protein
L–A · 138 Å² buried · 1 hydrogen bond · protein-protein
H–B · 123 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

5GGU · Crystal structure of tremelimumab Fab · 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 5GGU · PDBe 5GGU

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