SMTL ID : 1g1q.1

Crystal structure of P-selectin lectin/EGF domains

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.40 Å

Oligo State

homo-tetramer

Ligands

4 x CA: CALCIUM ION(Non-covalent)

CA.1: 5 residues within 4Å: Chain A: E.80, N.82, N.83, N.105, D.106 5 PLIP interactions: 3 interactions with chain A, 2 Ligand-Water interactions Metal complexes: A:E.80, A:D.106, A:D.106, H2O.4, H2O.51 CA.2: 5 residues within 4Å: Chain B: E.80, N.82, N.83, N.105, D.106 5 PLIP interactions: 3 interactions with chain B, 2 Ligand-Water interactions Metal complexes: B:E.80, B:D.106, B:D.106, H2O.77, H2O.84 CA.3: 5 residues within 4Å: Chain C: E.80, N.82, N.83, N.105, D.106 3 PLIP interactions: 3 interactions with chain C Metal complexes: C:E.80, C:D.106, C:D.106 CA.4: 4 residues within 4Å: Chain D: E.80, N.82, N.105, D.106 3 PLIP interactions: 3 interactions with chain D Metal complexes: D:E.80, D:D.106, D:D.106

2 x MRD: (4R)-2-METHYLPENTANE-2,4-DIOL(Non-functional Binders)

MRD.5: 5 residues within 4Å: Chain C: T.2, Y.3, Y.37, I.137, G.138 3 PLIP interactions: 3 interactions with chain C Hydrophobic interactions: C:I.137 Hydrogen bonds: C:Y.3, C:Y.3 MRD.6: 5 residues within 4Å: Chain A: T.2, Y.3, Y.37, I.137, G.138 4 PLIP interactions: 4 interactions with chain A Hydrophobic interactions: A:Y.37, A:I.137 Hydrogen bonds: A:Y.3, A:Y.3

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Somers, W.S. et al., Insights into the molecular basis of leukocyte tethering and rolling revealed by structures of P- and E-selectin bound to SLe(X) and PSGL-1. Cell(Cambridge,Mass.) (2000)

Release Date

2001-10-13

Peptides

P-SELECTIN: ABCD

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

C
C

D
D

P-SELECTIN

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