MolNFT v1 · #161020 · protein

Human antibody H1244 in complex with the influenza hemagglutinin head domain of A/BEIJING/262/95(H1N1)

6Q18: “Human antibody H1244 in complex with the influenza hemagglutinin head domain of A/BEIJING/262/95(H1N1)”. X-ray diffraction, 1 ligand (NAG), 7 pockets (best druggability 0.61). MolNFT v1 #161020 on GenesisL1: 3D structure, binding…

PDB: 6Q18
Type: protein
Length: 653 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hemagglutinin; H1244 Fab lambda chain; H1244 Fab heavy chain
UniProt: B4UPF7
Ligands: NAG
Pockets: 7 · best druggability 0.61

Structure

x-ray diffraction · 3 distinct chains · 8% helix, 45% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Hemagglutinin	protein	212	9% helix, 37% strand	B4UPF7
L	H1244 Fab lambda chain	protein	210	9% helix, 50% strand	—
H	H1244 Fab heavy chain	protein	231	7% helix, 49% strand	—

Ligands and binding sites

NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A
GOL · Glycerol · additive · chains A

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

Pockets

7 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	599	0.61	0.74	57	empty
2	162	0.48	0.77	27	empty
3	94	0.47	0.81	25	empty
4	91	0.46	0.80	16	empty
5	78	0.32	0.74	18	empty

Interfaces

3 interfaces between chains.

L–H · 1992 Å² buried · 17 hydrogen bonds · protein-protein
A–H · 994 Å² buried · 34 hydrogen bonds · protein-protein
A–L · 37 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide, 2 glycan (disulfide, N-glycosylation).

Compared structures

6Q18 · Human antibody H1244 in complex with the influenza hemagglutinin head domain of… · 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
Every structure of UniProt B4UPF7
Elsewhere: RCSB PDB 6Q18 · PDBe 6Q18 · UniProt B4UPF7

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