MolNFT v1 · #12197 · protein

Crystal structure of calcium bound human S100A6

1K9K: “Crystal structure of calcium bound human S100A6”. X-ray diffraction, 1 ligand (CA). MolNFT v1 #12197 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1K9K
Type: protein
Length: 178 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: S100A6
UniProt: P06703
Ligands: CA

Structure

x-ray diffraction · 1 distinct chain · 67% helix, 4% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	S100A6	protein	89	67% helix, 4% strand	P06703

Ligands and binding sites

CA · Calcium ion · metal · 4 copies · chains A, B
BME · Beta-mercaptoethanol · additive · 2 copies · chains A, B

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

Interfaces

1 interface between chains.

A–B · 1548 Å² buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 covalent (additive adduct).

Compared structures

1K9K · Crystal structure of calcium bound human S100A6 · the same entry in another collection · chain A against A, TM-score 1.00
P06703 · AlphaFold monomer V2.0 prediction for protein S100-A6 (P06703) · a predicted model of the same protein · chain A against A, TM-score 0.94

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 P06703
Elsewhere: RCSB PDB 1K9K · PDBe 1K9K · UniProt P06703

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