MolNFT v1 · #94241 · protein

Crystal structure of RV144-elicited antibody CH58

4HQQ · CH58 Fab heavy chain: “Crystal structure of RV144-elicited antibody CH58”. X-ray diffraction, 3 pockets (best druggability 0.39). MolNFT v1 #94241 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4HQQ
Type: protein
Length: 427 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: CH58 Fab heavy chain; CH58 Fab light chain
Pockets: 3 · best druggability 0.39

Structure

x-ray diffraction · 2 distinct chains · 7% helix, 52% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
H	CH58 Fab heavy chain	protein	215	7% helix, 54% strand	—
L	CH58 Fab light chain	protein	212	8% helix, 50% strand	—

Pockets

3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	133	0.39	0.74	28	empty
2	110	0.35	0.73	21	empty
3	57	0.29	0.74	10	empty

Interfaces

1 interface between chains.

H–L · 1710 Å² buried · 15 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

4HQQ · Crystal structure of RV144-elicited antibody CH58 · 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 4HQQ · PDBe 4HQQ

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