Entry: Q9CCW5 Genes: ispF ML0322 Length: 158 aa

2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (MECDP-synthase) (MECPP-synthase) (MECPS)

ISPF_MYCLE Mycobacterium leprae (strain TN)
Navigate Overview Model Scores RCSB 1D Mol* Pockets B-Cell Epitopes Function and interactions Ontology and localisation Sequence features and PTMs Evidence and cross-references

Summary

Download FASTA UniProt: Q9CCW5 ML Locus: ML0322
Entry Q9CCW5
Reviewed reviewed
Entry Name ISPF_MYCLE
Gene Names ispF ML0322
ML locus tag ML0322
Organism Mycobacterium leprae (strain TN)
Length 158 aa
Mass 16511 Da
Annotation 3.0
Annotation Summary

Evidence and cross-references

PubMed ID 11234002
DOI ID 10.1038/35059006
STRING 272631.gene:17574141;
KEGG mle:ML0322;
eggNOG COG0245;
OrthoDB 9804336at2;
InterPro IPR003526;IPR020555;IPR036571;

Oligomer Models

Best Boltz2 oligomer and local AlphaFold‑3 homooligomer structure models matched to ML0322, with the same model switching, Mol*, Nightingale, pLDDT, PAE, and download functionality as monomers.
Count: 1
Assembly Method Template / Source Overall Rank Download
Homo 3-mer Boltz2 2UZH 0.796012 Download Model

Ligands

Curated ligands imported from the selected oligomer template/YAML rows. The displayed ligand code is the original template CCD code; predicted-model placeholders such as LIG1/LIG2 are not shown. Click a ligand code to focus the ligand in Mol*.
Ligands: 0
Ligand Code Ligand Name PubChem ID
No curated ligand rows were found for this oligomer in the database.

Monomer Models

Monomer structure models for ML0322, retaining all existing model selection, Mol*, Nightingale, pLDDT, PAE, and download functionality.
Count: 4
Assembly Method Model Overall Rank Download
Monomer Boltz2 0 0.935406 Download Model
Monomer AlphaFold‑3 2 0.929523 Download Model
Monomer Boltz 0 0.928847 Download Model
Monomer CHAI 0 0.191185 Download Model

Sequence & Feature Viewer

Residue-level feature tracks for the loaded model — pLDDT confidence colouring, mapped annotations, and interactive PAE selection ranges. Drag a region on the heatmap to highlight it here and in Mol*.
RCSB 1D
Sequence viewer will initialise once a structure model is loaded.
Mol* — ML0322

Mol* Structure Viewer

Local mmCIF model display for ML0322 with Mol* controls hidden.
Default: Homo 3-mer • Boltz2
Preparing Homo 3-mer • Boltz2 model 0 for ML0322…
Residue focus: none
Heterooligomer ML IDs / chain selection

PAE Map Panel

Predicted aligned error heatmap for the currently loaded model, when pairwise confidence data are available in the local mmCIF.
PAE • Waiting for Model
PAE Heatmap
Loading pairwise confidence data for the selected model…
Scored residue
Aligned residue
Hover over the heatmap to inspect residue-pair PAE values.
Click a cell or drag across the heatmap to select residue blocks and mirror them in the sequence viewer.

B-cell Epitope Propensity

Per-residue conformational B-cell epitope predictions from DiscoTope-3.0.
Epitope · Loading
Low
Epitope
Residue number Residue type DiscoTope-3.0 score Focus
Loading epitope predictions…
Click a residue to focus it in Mol*.
Annotation Summary

Function and interactions

EC number 4.6.1.12
Pathway PATHWAY: Isoprenoid biosynthesis; isopentenyl diphosphate biosynthesis via DXP pathway; isopentenyl diphosphate from 1-deoxy-D-xylulose 5-phosphate: step 4/6. {ECO:0000255|HAMAP-Rule:MF_00107}.
Catalytic activity CATALYTIC ACTIVITY: Reaction=4-CDP-2-C-methyl-D-erythritol 2-phosphate = 2-C-methyl-D-erythritol 2,4-cyclic diphosphate + CMP; Xref=Rhea:RHEA:23864, ChEBI:CHEBI:57919, ChEBI:CHEBI:58483, ChEBI:CHEBI:60377; EC=4.6.1.12; Evidence={ECO:0000255|HAMAP-Rule:MF_00107};
Binding site BINDING 12..14; /ligand="4-CDP-2-C-methyl-D-erythritol 2-phosphate"; /ligand_id="ChEBI:CHEBI:57919"; /evidence="ECO:0000255|HAMAP-Rule:MF_00107"; BINDING 12; /ligand="a divalent metal cation"; /ligand_id="ChEBI:CHEBI:60240"; /evidence="ECO:0000255|HAMAP-Rule:MF_00107"; BINDING 14; /ligand="a divalent metal cation"; /ligand_id="ChEBI:CHEBI:60240"; /evidence="ECO:0000255|HAMAP-Rule:MF_00107"; BINDING 38..39; /ligand="4-CDP-2-C-methyl-D-erythritol 2-phosphate"; /ligand_id="ChEBI:CHEBI:57919"; /evidence="ECO:0000255|HAMAP-Rule:MF_00107"; BINDING 46; /ligand="a divalent metal cation"; /ligand_id="ChEBI:CHEBI:60240"; /evidence="ECO:0000255|HAMAP-Rule:MF_00107"; BINDING 60..62; /ligand="4-CDP-2-C-methyl-D-erythritol 2-phosphate"; /ligand_id="ChEBI:CHEBI:57919"; /evidence="ECO:0000255|HAMAP-Rule:MF_00107"; BINDING 133..136; /ligand="4-CDP-2-C-methyl-D-erythritol 2-phosphate"; /ligand_id="ChEBI:CHEBI:57919"; /evidence="ECO:0000255|HAMAP-Rule:MF_00107"; BINDING 143; /ligand="4-CDP-2-C-methyl-D-erythritol 2-phosphate"; /ligand_id="ChEBI:CHEBI:57919"; /evidence="ECO:0000255|HAMAP-Rule:MF_00107"
Cofactor COFACTOR: Name=a divalent metal cation; Xref=ChEBI:CHEBI:60240; Evidence={ECO:0000255|HAMAP-Rule:MF_00107}; Note=Binds 1 divalent metal cation per subunit. {ECO:0000255|HAMAP-Rule:MF_00107};
Site SITE 38; /note="Transition state stabilizer"; /evidence="ECO:0000255|HAMAP-Rule:MF_00107"; SITE 134; /note="Transition state stabilizer"; /evidence="ECO:0000255|HAMAP-Rule:MF_00107"
Subunit structure SUBUNIT: Homotrimer. {ECO:0000255|HAMAP-Rule:MF_00107}.
Annotation Summary

Ontology and localisation

Gene Ontology (biological process) isopentenyl diphosphate biosynthetic process, methylerythritol 4-phosphate pathway [GO:0019288]; terpenoid biosynthetic process [GO:0016114]
Gene Ontology (GO) 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase activity [GO:0008685]; metal ion binding [GO:0046872]; isopentenyl diphosphate biosynthetic process, methylerythritol 4-phosphate pathway [GO:0019288]; terpenoid biosynthetic process [GO:0016114]
Gene Ontology (molecular function) 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase activity [GO:0008685]; metal ion binding [GO:0046872]
Gene Ontology IDs GO:0008685; GO:0016114; GO:0019288; GO:0046872
Protein families IspF family
Sequence similarities SIMILARITY: Belongs to the IspF family. {ECO:0000255|HAMAP-Rule:MF_00107}.
Annotation Summary

Sequence features and PTMs

Chain CHAIN 1..158; /note="2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase"; /id="PRO_0000189483"