MolNFT v1 · #143476 · protein

Crystal structure of circumsporozoite protein atsr domain in complex with 1710 antibody

6B0S · 1710 antibody, heavy chain: “Crystal structure of circumsporozoite protein atsr domain in complex with 1710 antibody”. X-ray diffraction, 6 pockets (best druggability 0.64). MolNFT v1 #143476 on GenesisL1: 3D structure, binding…

PDB: 6B0S
Type: protein
Length: 492 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 1710 antibody, heavy chain; 1710 antibody, light chain; Circumsporozoite protein
UniProt: M1V0B0
Pockets: 6 · best druggability 0.64

Structure

x-ray diffraction · 3 distinct chains · 11% helix, 47% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
H	1710 antibody, heavy chain	protein	217	9% helix, 50% strand	—
L	1710 antibody, light chain	protein	210	8% helix, 50% strand	—
C	Circumsporozoite protein	protein	65	31% helix, 28% strand	M1V0B0

Ligands and binding sites

GOL · Glycerol · additive · 5 copies · chains H, L, C
IPA · Isopropyl alcohol · additive · chains H, C

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

Pockets

6 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	111	0.64	0.88	23	IPA
2	477	0.59	0.74	54	empty
3	178	0.45	0.74	27	empty
4	72	0.41	0.80	16	empty
5	65	0.33	0.76	17	empty

Interfaces

3 interfaces between chains.

H–L · 1720 Å² buried · 16 hydrogen bonds · protein-protein
H–C · 531 Å² buried · 13 hydrogen bonds · protein-protein
L–C · 280 Å² buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

6B0S · Crystal structure of circumsporozoite protein aTSR domain in complex with 1710 antibody · 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
Every structure of UniProt M1V0B0
Elsewhere: RCSB PDB 6B0S · PDBe 6B0S · UniProt M1V0B0

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