MolNFT v1 · #99787 · protein

Crystal structure of calcium-bound annexin (SM)1

4MDV: “Crystal structure of calcium-bound annexin (SM)1”. X-ray diffraction, 1 ligand (CA), 8 pockets (best druggability 0.69). MolNFT v1 #99787 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4MDV
Type: protein
Length: 700 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Annexin
UniProt: C4QH88
Ligands: CA
Pockets: 8 · best druggability 0.69

Structure

x-ray diffraction · 2 distinct chains · 68% helix, 1% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Annexin	protein	351	68% helix, 1% strand	C4QH88
B	Annexin	protein	349	68% helix, 1% strand	C4QH88

Ligands and binding sites

CA · Calcium ion · metal · 13 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	752	0.69	0.76	62	empty
2	106	0.68	0.91	27	CA
3	443	0.60	0.75	50	empty
4	100	0.44	0.78	17	empty
5	78	0.41	0.79	16	empty

Interfaces

1 interface between chains.

A–B · 708 Å² buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

4MDV · Crystal structure of calcium-bound annexin (Sm)1 · 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 C4QH88
Elsewhere: RCSB PDB 4MDV · PDBe 4MDV · UniProt C4QH88

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