SMTL ID : 1kwu.1

Rat mannose binding protein A complexed with a-Me-Man

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.95 Å

Oligo State

homo-trimer

Ligands

3 x MMA: methyl alpha-D-mannopyranoside(Non-covalent)(Non-functional Binders)

MMA.1: 8 residues within 4Å: Chain A: E.113, N.115, H.117, E.121, N.133, D.134, I.135 Ligands: CA.3 5 PLIP interactions: 5 interactions with chain A Hydrogen bonds: A:N.115, A:E.121, A:N.133, A:N.133 Salt bridges: A:H.117 MMA.7: 8 residues within 4Å: Chain B: E.113, N.115, H.117, E.121, N.133, D.134, I.135 Ligands: CA.9 5 PLIP interactions: 5 interactions with chain B Hydrogen bonds: B:N.115, B:E.121, B:N.133, B:N.133 Salt bridges: B:H.117 MMA.12: 8 residues within 4Å: Chain C: E.113, N.115, H.117, E.121, N.133, D.134, I.135 Ligands: CA.14 5 PLIP interactions: 5 interactions with chain C Hydrogen bonds: C:N.115, C:E.121, C:N.133, C:N.133 Salt bridges: C:H.117

10 x CA: CALCIUM ION(Non-covalent)

CA.2: 5 residues within 4Å: Chain A: D.89, E.93, D.116, E.121, D.122 5 PLIP interactions: 4 interactions with chain A, 1 Ligand-Water interactions Metal complexes: A:D.89, A:D.116, A:E.121, A:D.122, H2O.1 CA.3: 6 residues within 4Å: Chain A: E.113, N.115, E.121, N.133, D.134 Ligands: MMA.1 4 PLIP interactions: 4 interactions with chain A Metal complexes: A:E.113, A:E.121, A:D.134, A:D.134 CA.4: 2 residues within 4Å: Chain A: E.93, D.122 4 PLIP interactions: 3 interactions with chain A, 1 Ligand-Water interactions Metal complexes: A:E.93, A:D.122, A:D.122, H2O.4 CA.6: 0 residues within 4Å: (No contacts) No protein-ligand interaction detected (PLIP) CA.8: 6 residues within 4Å: Chain B: D.89, E.93, D.116, E.121, D.122 Ligands: CA.10 5 PLIP interactions: 4 interactions with chain B, 1 Ligand-Water interactions Metal complexes: B:D.89, B:E.93, B:D.116, B:D.122, H2O.7 CA.9: 6 residues within 4Å: Chain B: E.113, N.115, E.121, N.133, D.134 Ligands: MMA.7 4 PLIP interactions: 4 interactions with chain B Metal complexes: B:E.113, B:E.121, B:D.134, B:D.134 CA.10: 4 residues within 4Å: Chain B: E.93, D.116, D.122 Ligands: CA.8 5 PLIP interactions: 1 interactions with chain B, 4 Ligand-Water interactions Metal complexes: B:E.93, H2O.7, H2O.8, H2O.9, H2O.10 CA.13: 5 residues within 4Å: Chain C: D.89, E.93, D.116, E.121, D.122 5 PLIP interactions: 4 interactions with chain C, 1 Ligand-Water interactions Metal complexes: C:D.89, C:E.93, C:D.116, C:D.122, H2O.12 CA.14: 6 residues within 4Å: Chain C: E.113, N.115, E.121, N.133, D.134 Ligands: MMA.12 4 PLIP interactions: 4 interactions with chain C Metal complexes: C:E.113, C:E.121, C:D.134, C:D.134 CA.15: 2 residues within 4Å: Chain C: E.93, D.122 5 PLIP interactions: 2 interactions with chain C, 3 Ligand-Water interactions Metal complexes: C:E.93, C:D.122, H2O.12, H2O.12, H2O.13

3 x CL: CHLORIDE ION(Non-covalent)(Non-functional Binders)

CL.5: 3 residues within 4Å: Chain A: D.122, S.136, C.137 Ligand excluded by PLIP CL.11: 4 residues within 4Å: Chain B: E.121, D.122, S.136, C.137 Ligand excluded by PLIP CL.16: 4 residues within 4Å: Chain C: E.121, D.122, S.136, C.137 Ligand excluded by PLIP

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Ng, K.K. et al., Orientation of bound ligands in mannose-binding proteins. Implications for multivalent ligand recognition. J.Biol.Chem. (2002)

Release Date

2002-07-05

Peptides

MANNOSE-BINDING PROTEIN A: ABC

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

C
C

MANNOSE-BINDING PROTEIN A

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