MolNFT v1 · #87504 · protein

Hrsv M2-1, P21 crystal form

4C3B · Matrix protein 2-1: “Hrsv M2-1, P21 crystal form”. X-ray diffraction, 1 ligand (ZN), 20 pockets (best druggability 0.86). MolNFT v1 #87504 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4C3B
Type: protein
Length: 2,660 residues
Chains: 16
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Matrix protein 2-1
UniProt: P04545
Ligands: ZN
Pockets: 20 · best druggability 0.86

Structure

x-ray diffraction · 14 distinct chains · 71% helix, 1% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Matrix protein 2-1	protein	165	68% helix, 1% strand	P04545
B	Matrix protein 2-1	protein	164	70% helix, 1% strand	P04545
C, F	Matrix protein 2-1	protein	178	71% helix, 1% strand	P04545
D, E	Matrix protein 2-1	protein	174	68% helix, 1% strand	P04545
G	Matrix protein 2-1	protein	164	70% helix, 1% strand	P04545
H	Matrix protein 2-1	protein	174	70% helix, 1% strand	P04545
I	Matrix protein 2-1	protein	156	72% helix, 1% strand	P04545
J	Matrix protein 2-1	protein	161	72% helix, 1% strand	P04545
K	Matrix protein 2-1	protein	167	72% helix, 1% strand	P04545
L	Matrix protein 2-1	protein	160	74% helix, 1% strand	P04545
M	Matrix protein 2-1	protein	161	73% helix, 1% strand	P04545
N	Matrix protein 2-1	protein	155	73% helix, 1% strand	P04545
O	Matrix protein 2-1	protein	169	71% helix, 1% strand	P04545
P	Matrix protein 2-1	protein	160	74% helix, 1% strand	P04545

Ligands and binding sites

ZN · Zinc ion · metal · 16 copies · chains A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	728	0.86	0.90	86	empty
2	935	0.86	0.87	92	empty
3	971	0.86	0.87	89	empty
4	601	0.85	0.90	79	empty
5	464	0.83	0.90	59	empty

Interfaces

44 interfaces between chains.

E–H · 1858 Å² buried · 23 hydrogen bonds · protein-protein
F–G · 1843 Å² buried · 23 hydrogen bonds · protein-protein
C–D · 1827 Å² buried · 23 hydrogen bonds · protein-protein
O–P · 1777 Å² buried · 25 hydrogen bonds · protein-protein
K–L · 1762 Å² buried · 24 hydrogen bonds · protein-protein

Compared structures

4C3B · HRSV M2-1, P21 crystal form · 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 P04545
Elsewhere: RCSB PDB 4C3B · PDBe 4C3B · UniProt P04545

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