MolNFT v1 · #70507 · protein

Structure of human anti HIV 21C Fab

3LMJ · Heavy chain of anti HIV Fab from human 21C antibody: “Structure of human anti HIV 21C Fab”. X-ray diffraction, 5 pockets (best druggability 0.60). MolNFT v1 #70507 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3LMJ
Type: protein
Length: 440 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Heavy chain of anti HIV Fab from human 21C antibody; Light chain of anti HIV Fab from…
Pockets: 5 · best druggability 0.60

Structure

x-ray diffraction · 2 distinct chains · 7% helix, 48% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
H	Heavy chain of anti HIV Fab from human 21C antibody	protein	225	7% helix, 48% strand	—
L	Light chain of anti HIV Fab from human 21C antibody	protein	215	7% helix, 48% strand	—

Ligands and binding sites

MPD · (4S)-2-methyl-2,4-pentanediol · additive · 2 copies · chains H, L

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

Pockets

5 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	87	0.60	0.88	19	empty
2	179	0.52	0.79	27	empty
3	293	0.49	0.73	41	MPD
4	126	0.39	0.74	25	empty
5	79	0.35	0.75	20	empty

Interfaces

1 interface between chains.

H–L · 1908 Å² buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

3LMJ · Structure of human anti HIV 21c 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 3LMJ · PDBe 3LMJ

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