MolNFT v1 · #156371 · protein

Overall structure of KCC2

6M23 · Solute carrier family 12 member 5: “Overall structure of KCC2”. Electron microscopy, 3 ligands (NAG, K, CL), 20 pockets (best druggability 0.81). MolNFT v1 #156371 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6M23
Type: protein
Length: 1,872 residues
Chains: 2
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Solute carrier family 12 member 5
UniProt: Q9H2X9
Ligands: NAG, K, CL
Pockets: 20 · best druggability 0.81

Structure

electron microscopy · 1 distinct chain · 45% helix, 8% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Solute carrier family 12 member 5	protein	936	45% helix, 8% strand	Q9H2X9

Ligands and binding sites

NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 14 copies · chains A, B
K · Potassium ion · metal · 2 copies · chains A, B
CL · Chloride ion · ion · 2 copies · chains A, B

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

Pockets

20 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	176	0.81	0.96	37	CL
2	184	0.81	0.96	39	CL
3	741	0.76	0.81	66	empty
4	719	0.76	0.81	64	empty
5	463	0.74	0.83	43	empty

Interfaces

1 interface between chains.

A–B · 3433 Å² buried · 19 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 glycan, 4 modified, 2 disulfide (N-glycosylation, phosphorylation, disulfide).

Compared structures

6M23 · Overall structure of KCC2 · the same entry in another collection · chain A against A, TM-score 1.00
Q9H2X9 · AlphaFold monomer V2.0 prediction for solute carrier family 12 member 5 (Q9H2X9) · a predicted model of the same protein · chain A against A, TM-score 0.95

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 Q9H2X9
Elsewhere: RCSB PDB 6M23 · PDBe 6M23 · UniProt Q9H2X9

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