SMTL ID : 2w9l.1

CANINE ADENOVIRUS TYPE 2 FIBRE HEAD IN COMPLEX WITH CAR DOMAIN D1 AND SIALIC ACID

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.91 Å

Oligo State

hetero-12-12-mer

Ligands

10 x GAL- SIA: N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose(Non-covalent)(Non-functional Binders)

GAL-SIA.1: 10 residues within 4Å: Chain C: I.32, N.33, Y.63, Q.70, S.71, Q.72, F.73, S.74, N.90, R.170 8 PLIP interactions: 8 interactions with chain C Salt bridges: C:K.160, C:R.170 Hydrogen bonds: C:N.33, C:S.71, C:Q.72, C:Q.72, C:S.74, C:N.90, C:N.90 GAL-SIA.2: 10 residues within 4Å: Chain D: I.32, N.33, Y.63, Q.70, S.71, Q.72, F.73, S.74, N.90, R.170 8 PLIP interactions: 8 interactions with chain D Hydrogen bonds: D:N.33, D:S.71, D:Q.72, D:Q.72, D:S.74, D:N.90, D:N.90 Salt bridges: D:R.170 GAL-SIA.3: 10 residues within 4Å: Chain E: I.32, N.33, Y.63, Q.70, S.71, Q.72, F.73, S.74, N.90, R.170 6 PLIP interactions: 6 interactions with chain E Hydrogen bonds: E:S.71, E:Q.72, E:Q.72, E:S.74, E:N.90 Salt bridges: E:R.170 GAL-SIA.5: 10 residues within 4Å: Chain H: I.32, N.33, Y.63, Q.70, S.71, Q.72, F.73, S.74, N.90, R.170 8 PLIP interactions: 8 interactions with chain H Hydrogen bonds: H:N.33, H:S.71, H:Q.72, H:Q.72, H:S.74, H:N.90, H:N.90 Salt bridges: H:R.170 GAL-SIA.6: 10 residues within 4Å: Chain I: I.32, N.33, Y.63, Q.70, S.71, Q.72, F.73, S.74, N.90, R.170 9 PLIP interactions: 9 interactions with chain I Hydrogen bonds: I:N.33, I:S.71, I:Q.72, I:Q.72, I:S.74, I:N.90, I:N.90, I:R.170 Salt bridges: I:R.170 GAL-SIA.7: 9 residues within 4Å: Chain L: N.33, Y.63, Q.70, S.71, Q.72, F.73, S.74, N.90, R.170 9 PLIP interactions: 9 interactions with chain L Hydrogen bonds: L:N.33, L:N.33, L:S.71, L:Q.72, L:Q.72, L:S.74, L:N.90, L:N.90 Salt bridges: L:R.170 GAL-SIA.8: 9 residues within 4Å: Chain M: N.33, Y.63, Q.70, S.71, Q.72, F.73, S.74, N.90, R.170 9 PLIP interactions: 9 interactions with chain M Hydrophobic interactions: M:F.73 Hydrogen bonds: M:N.33, M:S.71, M:Q.72, M:Q.72, M:S.74, M:N.90, M:N.90 Salt bridges: M:R.170 GAL-SIA.10: 9 residues within 4Å: Chain Q: N.33, Y.63, Q.70, S.71, Q.72, F.73, S.74, N.90, R.170 7 PLIP interactions: 7 interactions with chain Q Hydrogen bonds: Q:S.71, Q:Q.72, Q:Q.72, Q:S.74, Q:N.90, Q:N.90 Salt bridges: Q:R.170 GAL-SIA.11: 9 residues within 4Å: Chain R: N.33, Y.63, Q.70, S.71, Q.72, F.73, S.74, N.90, R.170 8 PLIP interactions: 8 interactions with chain R Hydrogen bonds: R:N.33, R:S.71, R:Q.72, R:Q.72, R:S.74, R:N.90, R:N.90 Salt bridges: R:R.170 GAL-SIA.12: 9 residues within 4Å: Chain S: N.33, Y.63, Q.70, S.71, Q.72, F.73, S.74, N.90, R.170 8 PLIP interactions: 8 interactions with chain S Hydrogen bonds: S:N.33, S:S.71, S:Q.72, S:Q.72, S:S.74, S:N.90, S:N.90 Salt bridges: S:R.170

2 x GL0- SIA: N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-gulopyranose(Non-functional Binders)(Non-covalent)

GL0-SIA.4: 10 residues within 4Å: Chain F: I.32, N.33, Y.63, Q.70, S.71, Q.72, F.73, S.74, N.90, R.170 9 PLIP interactions: 9 interactions with chain F Hydrogen bonds: F:N.33, F:S.71, F:Q.72, F:Q.72, F:S.74, F:N.90, F:N.90, F:R.170 Salt bridges: F:R.170 GL0-SIA.9: 9 residues within 4Å: Chain N: I.32, N.33, Y.63, S.71, Q.72, F.73, S.74, N.90, R.170 8 PLIP interactions: 8 interactions with chain N Hydrogen bonds: N:N.33, N:S.71, N:Q.72, N:Q.72, N:S.74, N:N.90, N:N.90 Salt bridges: N:R.170

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Seiradake, E. et al., The cell adhesion molecule "CAR" and sialic acid on human erythrocytes influence adenovirus in vivo biodistribution. PLoS Pathog. (2009)

Release Date

2009-03-17

Peptides

COXSACKIEVIRUS AND ADENOVIRUS RECEPTOR: ABGJKOPTUVWX
FIBRE PROTEIN: CDEFHILMNQRS

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

G
G

J
J

K
K

O
O

P
P

T
T

U
V

V
X

W
Y

X
Z

C
C

D
D

E
E

F
F

H
H

I
I

L
L

M
M

N
N

Q
Q

R
R

S
S

COXSACKIEVIRUS AND ADENOVIRUS RECEPTOR

FIBRE PROTEIN

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