MolNFT v1 · #121838 · protein

Crystal structure of FM318, a recombinant Fab adopted from cetuximab

5I76 · FM318_LIGHT_CHAIN: “Crystal structure of FM318, a recombinant Fab adopted from cetuximab”. X-ray diffraction, 6 pockets (best druggability 0.76). MolNFT v1 #121838 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5I76
Type: protein
Length: 864 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: FM318_LIGHT_CHAIN; FM318_HEAVY_CAHIN
Pockets: 6 · best druggability 0.76

Structure

x-ray diffraction · 3 distinct chains · 6% helix, 51% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C	FM318_LIGHT_CHAIN	protein	213	6% helix, 52% strand	—
B	FM318_HEAVY_CAHIN	protein	221	7% helix, 51% strand	—
D	FM318_HEAVY_CAHIN	protein	217	7% helix, 51% strand	—

Pockets

6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	932	0.76	0.79	124	empty
2	595	0.64	0.75	58	empty
3	236	0.50	0.75	29	empty
4	52	0.49	0.87	22	empty
5	126	0.42	0.75	23	empty

Interfaces

3 interfaces between chains.

A–B · 1854 Å² buried · 19 hydrogen bonds · protein-protein
C–D · 1704 Å² buried · 19 hydrogen bonds · protein-protein
A–C · 636 Å² buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

5I76 · Crystal structure of FM318, a recombinant Fab adopted from cetuximab · 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 5I76 · PDBe 5I76

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