SMTL ID : 1rtm.1

TRIMERIC STRUCTURE OF A C-TYPE MANNOSE-BINDING PROTEIN

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.80 Å

Oligo State

homo-trimer

Ligands

9 x CA: CALCIUM ION(Non-covalent)

CA.1: 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:E.93, A:D.116, A:D.122, H2O.12 CA.2: 6 residues within 4Å: Chain A: E.113, N.115, E.121, N.133, D.134 Ligands: GOL.13 4 PLIP interactions: 4 interactions with chain A Metal complexes: A:E.113, A:E.121, A:D.134, A:D.134 CA.3: 2 residues within 4Å: Chain A: E.93, D.122 5 PLIP interactions: 3 interactions with chain A, 2 Ligand-Water interactions Metal complexes: A:E.93, A:D.122, A:D.122, H2O.10, H2O.11 CA.5: 6 residues within 4Å: Chain B: D.89, E.93, D.116, E.121, D.122 Ligands: CA.7 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.208 CA.6: 6 residues within 4Å: Chain B: E.113, N.115, E.121, N.133, D.134 Ligands: GOL.14 4 PLIP interactions: 4 interactions with chain B Metal complexes: B:E.113, B:E.121, B:D.134, B:D.134 CA.7: 3 residues within 4Å: Chain B: E.93, D.122 Ligands: CA.5 5 PLIP interactions: 3 interactions with chain B, 2 Ligand-Water interactions Metal complexes: B:E.93, B:D.122, B:D.122, H2O.198, H2O.199 CA.9: 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.359 CA.10: 6 residues within 4Å: Chain C: E.113, N.115, E.121, N.133, D.134 Ligands: GOL.15 4 PLIP interactions: 4 interactions with chain C Metal complexes: C:E.113, C:E.121, C:D.134, C:D.134 CA.11: 2 residues within 4Å: Chain C: E.93, D.122 4 PLIP interactions: 3 interactions with chain C, 1 Ligand-Water interactions Metal complexes: C:E.93, C:D.122, C:D.122, H2O.454

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

CL.4: 3 residues within 4Å: Chain A: D.122, S.136, C.137 Ligand excluded by PLIP CL.8: 4 residues within 4Å: Chain B: E.121, D.122, S.136, C.137 Ligand excluded by PLIP CL.12: 4 residues within 4Å: Chain C: D.122, S.136, C.137, Q.138 Ligand excluded by PLIP

15 x GOL: GLYCEROL(Non-functional Binders)

GOL.13: 9 residues within 4Å: Chain A: E.113, N.115, E.121, N.133, D.134, I.135 Ligands: CA.2, GOL.25, GOL.26 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:N.115, A:N.133 GOL.14: 8 residues within 4Å: Chain B: E.113, N.115, H.117, E.121, N.133, D.134, I.135 Ligands: CA.6 4 PLIP interactions: 4 interactions with chain B Hydrogen bonds: B:N.115, B:E.121, B:N.133, B:N.133 GOL.15: 7 residues within 4Å: Chain C: E.113, N.115, E.121, N.133, D.134, I.135 Ligands: CA.10 3 PLIP interactions: 3 interactions with chain C Hydrogen bonds: C:E.113, C:N.115, C:N.133 GOL.16: 5 residues within 4Å: Chain A: F.39, F.147, P.148 Chain C: L.26 Ligands: GOL.27 2 PLIP interactions: 2 interactions with chain A Water bridges: A:N.24, A:R.60 GOL.17: 4 residues within 4Å: Chain A: L.26 Chain B: N.24, F.39, F.147 1 PLIP interactions: 1 interactions with chain B Hydrogen bonds: B:N.24 GOL.18: 5 residues within 4Å: Chain B: L.26 Chain C: N.24, F.39, F.147, P.148 2 PLIP interactions: 2 interactions with chain C Hydrogen bonds: C:N.24 Water bridges: C:N.24 GOL.19: 6 residues within 4Å: Chain A: K.53, C.56, S.57, T.62, V.63, V.99 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:K.53, A:S.57, A:V.63 GOL.20: 4 residues within 4Å: Chain B: K.25, A.28, F.29, K.33 3 PLIP interactions: 3 interactions with chain B Hydrogen bonds: B:K.25, B:F.29 Water bridges: B:N.24 GOL.21: 3 residues within 4Å: Chain A: A.11, N.14, T.15 1 PLIP interactions: 1 interactions with chain A Hydrogen bonds: A:T.15 GOL.22: 4 residues within 4Å: Chain A: N.8, E.12 Chain B: E.10, N.14 5 PLIP interactions: 2 interactions with chain B, 3 interactions with chain A Hydrogen bonds: B:E.10, A:N.8, A:E.12, A:E.12 Water bridges: B:N.14 GOL.23: 2 residues within 4Å: Chain A: T.62, P.148 3 PLIP interactions: 3 interactions with chain A Water bridges: A:T.100, A:E.146, A:E.146 GOL.24: 3 residues within 4Å: Chain C: N.68, A.69, Y.106 1 PLIP interactions: 1 interactions with chain C Hydrogen bonds: C:A.69 GOL.25: 2 residues within 4Å: Chain A: I.135 Ligands: GOL.13 1 PLIP interactions: 1 interactions with chain A Water bridges: A:S.136 GOL.26: 5 residues within 4Å: Chain A: K.110, E.113, V.127, N.133 Ligands: GOL.13 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:K.110, A:N.133 Water bridges: A:K.110 GOL.27: 7 residues within 4Å: Chain A: E.21, N.24, K.25, A.28, K.33, F.39 Ligands: GOL.16 1 PLIP interactions: 1 interactions with chain A Hydrogen bonds: A:E.21

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Weis, W.I. et al., Trimeric structure of a C-type mannose-binding protein. Structure (1994)

Release Date

1995-02-07

Peptides

MANNOSE-BINDING PROTEIN-A: ABC

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
1

B
2

C
3

MANNOSE-BINDING PROTEIN-A

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