SMTL ID : 4cqs.1

H5 (VN1194) Asn186Lys Mutant Haemagglutinin in Complex with Avian Receptor Analogue 3'SLN

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.55 Å

Oligo State

hetero-3-3-mer

Ligands

3 x NAG- NAG: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose(Post Translational Modification)(Non-functional Binders)

NAG-NAG.1: 2 residues within 4Å: Chain A: K.22, N.23 No protein-ligand interaction detected (PLIP) NAG-NAG.8: 2 residues within 4Å: Chain C: K.22, N.23 No protein-ligand interaction detected (PLIP) NAG-NAG.15: 2 residues within 4Å: Chain E: K.22, N.23 No protein-ligand interaction detected (PLIP)

3 x NAG- NAG- MAN- BMA- MAN: beta-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose(Post Translational Modification)

NAG-NAG-MAN-BMA-MAN.2: 5 residues within 4Å: Chain A: N.165, N.236, D.237, A.238 Chain C: S.217 1 PLIP interactions: 1 interactions with chain A Hydrogen bonds: A:N.236 NAG-NAG-MAN-BMA-MAN.9: 5 residues within 4Å: Chain C: N.165, N.236, D.237, A.238 Chain E: S.217 1 PLIP interactions: 1 interactions with chain C Hydrogen bonds: C:N.236 NAG-NAG-MAN-BMA-MAN.16: 5 residues within 4Å: Chain A: S.217 Chain E: N.165, N.236, D.237, A.238 1 PLIP interactions: 1 interactions with chain E Hydrogen bonds: E:N.236

3 x NAG- NAG- BMA: beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose(Non-functional Binders)(Non-covalent)

NAG-NAG-BMA.3: 4 residues within 4Å: Chain B: E.147, E.150, N.154, T.156 No protein-ligand interaction detected (PLIP) NAG-NAG-BMA.10: 4 residues within 4Å: Chain D: E.147, E.150, N.154, T.156 No protein-ligand interaction detected (PLIP) NAG-NAG-BMA.17: 4 residues within 4Å: Chain F: E.147, E.150, N.154, T.156 No protein-ligand interaction detected (PLIP)

6 x NAG: 2-acetamido-2-deoxy-beta-D-glucopyranose(Post Translational Modification)(Non-covalent)(Non-functional Binders)

NAG.4: 1 residues within 4Å: Chain A: N.11 1 PLIP interactions: 1 interactions with chain A Hydrogen bonds: A:N.11 NAG.5: 1 residues within 4Å: Chain A: N.286 No protein-ligand interaction detected (PLIP) NAG.11: 1 residues within 4Å: Chain C: N.11 1 PLIP interactions: 1 interactions with chain C Hydrogen bonds: C:N.11 NAG.12: 1 residues within 4Å: Chain C: N.286 No protein-ligand interaction detected (PLIP) NAG.18: 1 residues within 4Å: Chain E: N.11 1 PLIP interactions: 1 interactions with chain E Hydrogen bonds: E:N.11 NAG.19: 1 residues within 4Å: Chain E: N.286 No protein-ligand interaction detected (PLIP)

6 x MPO: 3[N-MORPHOLINO]PROPANE SULFONIC ACID(Non-functional Binders)(Non-covalent)

MPO.6: 7 residues within 4Å: Chain A: L.129, V.131, S.132, S.133, W.149, L.190, Q.222 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:V.131, A:S.133, A:S.133, A:Q.222 MPO.7: 6 residues within 4Å: Chain A: C.4 Chain B: W.14, H.25, Y.34, N.135, C.137 3 PLIP interactions: 3 interactions with chain B Hydrogen bonds: B:Y.34, B:N.135 Salt bridges: B:H.25 MPO.13: 7 residues within 4Å: Chain C: L.129, V.131, S.132, S.133, W.149, L.190, Q.222 4 PLIP interactions: 4 interactions with chain C Hydrogen bonds: C:V.131, C:S.133, C:S.133, C:Q.222 MPO.14: 6 residues within 4Å: Chain C: C.4 Chain D: W.14, H.25, Y.34, N.135, C.137 3 PLIP interactions: 3 interactions with chain D Hydrogen bonds: D:Y.34, D:N.135 Salt bridges: D:H.25 MPO.20: 7 residues within 4Å: Chain E: L.129, V.131, S.132, S.133, W.149, L.190, Q.222 4 PLIP interactions: 4 interactions with chain E Hydrogen bonds: E:V.131, E:S.133, E:S.133, E:Q.222 MPO.21: 6 residues within 4Å: Chain E: C.4 Chain F: W.14, H.25, Y.34, N.135, C.137 3 PLIP interactions: 3 interactions with chain F Hydrogen bonds: F:Y.34, F:N.135 Salt bridges: F:H.25

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Xiong, X. et al., Enhanced Human Receptor Binding by H5 Haemagglutinins. Virology (2014)

Release Date

2014-05-28

Peptides

Hemagglutinin HA1: ACE
Hemagglutinin HA2: BDF

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

C
A

E
A

B
B

D
B

F
B

Hemagglutinin HA1

Hemagglutinin HA2

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