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| == Structural highlights == | | == Structural highlights == |
| <scene name='52/526157/Cv/7'>MECPS active site is located in a cleft between 2 subunits</scene> and contains the <scene name='52/526157/Cv/8'>metal ions</scene><ref>PMID:11997478</ref>. Water molecules are shown as red spheres. | | <scene name='52/526157/Cv/7'>MECPS active site is located in a cleft between 2 subunits</scene> and contains the <scene name='52/526157/Cv/8'>metal ions</scene><ref>PMID:11997478</ref>. Water molecules are shown as red spheres. |
| | |
| | ==3D structures of MECDP synthase== |
| | [[MECDP synthase 3D structures]] |
| | |
| </StructureSection> | | </StructureSection> |
| ==3D structures of MECDP synthase== | | ==3D structures of MECDP synthase== |
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| **[[1u3p]] - EcMECPS + Zn<br /> | | **[[1u3p]] - EcMECPS + Zn<br /> |
| **[[3f0d]] - BpMECPS + Zn – ''Burkholderia pseudomallei''<br /> | | **[[3f0d]] - BpMECPS + Zn – ''Burkholderia pseudomallei''<br /> |
| | **[[5l12]] - BpMECPS (mutant) + Zn<br /> |
| **[[3f0e]] - BpMECPS + Mg + Zn<br /> | | **[[3f0e]] - BpMECPS + Mg + Zn<br /> |
| **[[1jn1]] - HiMECPS + Co – ''Haemophilus influenzae'' <br /> | | **[[1jn1]] - HiMECPS + Co – ''Haemophilus influenzae'' <br /> |
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| **[[3ike]] - BpMECPS + cytosine + Mg + Zn<br /> | | **[[3ike]] - BpMECPS + cytosine + Mg + Zn<br /> |
| **[[3k2x]], [[3ke1]] - BpMECPS + cytosine derivative + Zn<br /> | | **[[3k2x]], [[3ke1]] - BpMECPS + cytosine derivative + Zn<br /> |
| | **[[5l03]] - BpMECPS + Trp derivative + Zn<br /> |
| **[[3ikf]], [[3k14]], [[3q8h]] - BpMECPS + imidazo-thiazol derivative + Zn<br /> | | **[[3ikf]], [[3k14]], [[3q8h]] - BpMECPS + imidazo-thiazol derivative + Zn<br /> |
| **[[3f0g]], [[3ieq]] - BpMECPS + CMP + Zn<br /> | | **[[3f0g]], [[3ieq]] - BpMECPS + CMP + Zn<br /> |
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Function
MECDP synthase or 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (MECPS) participates in mevalonate-independent steroid biosynthesis. It converts 2-phospho-4-(cytidine 5’-diphospho)-2-C-methyl-D-erythritol (2P-CDME) to 2-C-methyl-D-erythritol 2, 4-cyclodiphosphate (MECP) and CMP. MECPS contains metal binding sites which are required for catalysis[1].
Relevance
MECPS is a potential antimalarial drug target[2].
Structural highlights
MECPS active site is located in a cleft between 2 subunits and contains the metal ions[3]. Water molecules are shown as red spheres.
3D structures of MECDP synthase
MECDP synthase 3D structures
- ↑ Richard SB, Ferrer JL, Bowman ME, Lillo AM, Tetzlaff CN, Cane DE, Noel JP. Structure and mechanism of 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase. An enzyme in the mevalonate-independent isoprenoid biosynthetic pathway. J Biol Chem. 2002 Mar 8;277(10):8667-72. Epub 2002 Jan 10. PMID:11786530 doi:https://dx.doi.org/10.1074/jbc.C100739200
- ↑ Kishida H, Wada T, Unzai S, Kuzuyama T, Takagi M, Terada T, Shirouzu M, Yokoyama S, Tame JR, Park SY. Structure and catalytic mechanism of 2-C-methyl-D-erythritol 2,4-cyclodiphosphate (MECDP) synthase, an enzyme in the non-mevalonate pathway of isoprenoid synthesis. Acta Crystallogr D Biol Crystallogr. 2003 Jan;59(Pt 1):23-31. Epub 2002, Dec 19. PMID:12499535
- ↑ Kemp LE, Bond CS, Hunter WN. Structure of 2C-methyl-D-erythritol 2,4- cyclodiphosphate synthase: an essential enzyme for isoprenoid biosynthesis and target for antimicrobial drug development. Proc Natl Acad Sci U S A. 2002 May 14;99(10):6591-6. Epub 2002 May 7. PMID:11997478 doi:10.1073/pnas.102679799
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3D structures of MECDP synthase
Updated on 29-October-2019
{"openlevels":0}
- MECPS
- MECDP synthase 3D structures - EcMECPS + Mn – Escherichia coli
- 1u3p - EcMECPS + Zn
- 3f0d - BpMECPS + Zn – Burkholderia pseudomallei
- 5l12 - BpMECPS (mutant) + Zn
- 3f0e - BpMECPS + Mg + Zn
- 1jn1 - HiMECPS + Co – Haemophilus influenzae
- 1vh8 - HiMECPS
- 1vha - HiMECPS + Mn
- 1iv1 - TtMECPS – Thermus thermophilus
- 3f6m - YpMECPS – Yersinia pestis
- 1iv3 - TtMECPS (mutant) + Mg
- 3ghz - MECPS + Mg – Salmonella typhimurium
- 3re3 - MECPS – Francisella tularensis
- 4c82 - PfMECPS (mutant) + Zn – Plasmodium falciparum
- 5iwx - BsMECPS + Mg – Bacillus subtilis
- MECPS binary complex
- 1gx1 - EcMECPS + CDP + Mn + Zn
- 1u3l - EcMECPS + CDP + Mg + Zn
- 3f0f - BpMECPS + CMP + Mg + Zn
- 3ike - BpMECPS + cytosine + Mg + Zn
- 3k2x, 3ke1 - BpMECPS + cytosine derivative + Zn
- 5l03 - BpMECPS + Trp derivative + Zn
- 3ikf, 3k14, 3q8h - BpMECPS + imidazo-thiazol derivative + Zn
- 3f0g, 3ieq - BpMECPS + CMP + Zn
- 2uzh - MECPS + CDP + Zn – Mycobacterium smegmatis
- 4c81 - PfMECPS (mutant) + CDP + Zn
- 3fpi - YpMECPS + CTP + Mg
- 5b8f - MECPS + CMP + Mg – Pseudomonas aeruginosa
- 5iwy - BsMECPS + CMP + Mg
- 1iv2 - TtMECPS (mutant) + CDP + Mg
- 1iv4 - TtMECPS (mutant) + CMP + Mg
- 1h47 - EcMECPS + CMP + Zn
- 3jvh - BpMECPS + pyrimidine derivative + Zn
- 1u40 - EcMECPS + CDME + Zn
- 1u43 - EcMECPS + 2P-CDME
- 1t0a - MECPS + farnesyl phosphate + Co + Zn - Shewanella oneidensis
- 2pmp - MECPS + CMP + Zn – Arabidopsis thaliana
- 4c8e, 4c8g - BcMECPS + CMP + Zn – Burkholderia cenocepacia
- 4c8i - BcMECPS + citrate + Zn
- MECPS ternary complex
- 3iew - BpMECPS + CDP + CTP + Zn
- 1jy8 – EcMECPS + MECP + CMP + Zn
- 1knj - EcMECPS + MECP + CMP + Mn
- 3mbm - BpMECPS + imidazo-thiazol derivative +cytosine + Zn
- 3p10 - BpMECPS + pyrimidine derivative + cytidine + Zn
- 3t80 - MECPS + pyrimidine derivative + cytidine + Zn – Salmonella enterica
- 1yqn – EcMECPS (mutant) + CMP + geranyl diphosphate + Mn + Zn
- 2amt - EcMECPS + CMP derivative + geranyl diphosphate + Zn
- 3elc, 3eor, 3ern, 3fba - EcMECPS + pyrimidine derivative + geranyl diphosphate + Zn
- 3esj - EcMECPS + pyrimidine derivative + geranyl diphosphate + Mg + Zn
- 2gzl - EcMECPS + inhibitor + geranyl diphosphate + Zn
- MECPS quaternary complex
- 3p0z, 3qhd - BpMECPS + imidazo derivative + pyrimidine derivative + cytidine + Zn
- 1h48 - EcMECPS + MECP + CMP + geranyl diphosphate + Mn + Zn
References
