MolNFT v1 · #98815 · protein

Humanized antibody 4B12 Fab complexed with a cemx segment

4LKX · Fab fragment heavy chain: “Humanized antibody 4B12 Fab complexed with a cemx segment”. X-ray diffraction, 3 pockets (best druggability 0.61). MolNFT v1 #98815 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4LKX
Type: protein
Length: 447 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Fab fragment heavy chain; Fab fragment light chain; Cemx segment
Pockets: 3 · best druggability 0.61

Structure

x-ray diffraction · 3 distinct chains · 8% helix, 50% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Fab fragment heavy chain	protein	214	9% helix, 53% strand	—
B	Fab fragment light chain	protein	219	6% helix, 50% strand	—
R	Cemx segment	protein	14	21% helix, 0% strand	—

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	551	0.61	0.74	53	empty
2	199	0.46	0.74	33	empty
3	58	0.28	0.74	17	empty

Interfaces

3 interfaces between chains.

A–B · 1809 Å² buried · 13 hydrogen bonds · protein-protein
A–R · 580 Å² buried · 13 hydrogen bonds · protein-protein
B–R · 335 Å² buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

4LKX · Humanized antibody 4B12 Fab complexed with a CemX segment · 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 4LKX · PDBe 4LKX

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