MolNFT v1 · #145538 · protein

Adalimumab efab

6CR1 · Light chain of adalimumab efab (vl-IgE CH2): “Adalimumab efab”. X-ray diffraction, 1 ligand (NO3), 4 pockets (best druggability 0.75). MolNFT v1 #145538 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6CR1
Type: protein
Length: 436 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Light chain of adalimumab efab (vl-IgE CH2); Heavy chain of adalimumab efab (vh-IgE CH2)
Ligands: NO3
Pockets: 4 · best druggability 0.75

Structure

x-ray diffraction · 2 distinct chains · 6% helix, 53% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
L	Light chain of adalimumab efab (vl-IgE CH2)	protein	211	5% helix, 54% strand	—
H	Heavy chain of adalimumab efab (vh-IgE CH2)	protein	225	7% helix, 52% strand	—

Ligands and binding sites

NO3 · Nitrate ion · ion · 2 copies · chains H
PEG · Di(hydroxyethyl)ether · additive · chains L, H

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

Pockets

4 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	803	0.75	0.79	83	empty
2	280	0.54	0.76	41	empty
3	66	0.32	0.75	13	empty
4	52	0.24	0.71	7	empty

Interfaces

1 interface between chains.

L–H · 1897 Å² buried · 23 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

6CR1 · adalimumab EFab · the same entry in another collection · chain L against L, 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 6CR1 · PDBe 6CR1

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