Phospholipase A2

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<scene name='Journal:FLS:1/Cv/4'>Curcumin</scene> possesses anti-inflammatory activity. The binding of curcumin with PLA<sub>2</sub> was studied using X-ray crystallography. Since the electron density found in the active site did not match with curcumin, <scene name='Journal:FLS:1/Cv/5'>2-methoxycyclohexa-2-5-diene-1,4-dione (MCW)</scene> (the photo-degraded product of curcumin) <scene name='Journal:FLS:1/Cv/6'>was fitted</scene> in the unexplained electron density. To understand the <scene name='Journal:FLS:1/Cv/9'>binding mode of actual curcumin</scene>, molecular docking studies was carried out. <scene name='Journal:FLS:1/Cv/10'>Both crystallographic and docked structures were superimposed</scene> with respect to the ligand position and identified that <scene name='Journal:FLS:1/Cv/13'>curcumin is binding in the hydrophobic cavity</scene> of PLA<sub>2</sub> with a binding energy -16.81 Kcal/mol. The binding mode is in such a manner that it can prevent the entry of substrate to the hydrophobic active site. These studies indicate that curcumin can be act as an inhibitor to PLA<sub>2</sub>.
<scene name='Journal:FLS:1/Cv/4'>Curcumin</scene> possesses anti-inflammatory activity. The binding of curcumin with PLA<sub>2</sub> was studied using X-ray crystallography. Since the electron density found in the active site did not match with curcumin, <scene name='Journal:FLS:1/Cv/5'>2-methoxycyclohexa-2-5-diene-1,4-dione (MCW)</scene> (the photo-degraded product of curcumin) <scene name='Journal:FLS:1/Cv/6'>was fitted</scene> in the unexplained electron density. To understand the <scene name='Journal:FLS:1/Cv/9'>binding mode of actual curcumin</scene>, molecular docking studies was carried out. <scene name='Journal:FLS:1/Cv/10'>Both crystallographic and docked structures were superimposed</scene> with respect to the ligand position and identified that <scene name='Journal:FLS:1/Cv/13'>curcumin is binding in the hydrophobic cavity</scene> of PLA<sub>2</sub> with a binding energy -16.81 Kcal/mol. The binding mode is in such a manner that it can prevent the entry of substrate to the hydrophobic active site. These studies indicate that curcumin can be act as an inhibitor to PLA<sub>2</sub>.
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== 3D Structures of Phospholipase A2 ==
== 3D Structures of Phospholipase A2 ==

Revision as of 06:31, 20 August 2014

Phospholipase A2 complex with ethanol, phosphate and Ca+2 ion (green) (PDB code 1yxh)

Drag the structure with the mouse to rotate

Contents

3D Structures of Phospholipase A2

Updated on 20-August-2014

PLA2

1une, 1mkt, 1irb, 1bp2, 1bpq, 1g4i, 2bp2, 2bpp - bPLA2 – bovine
2zp3, 2zp4, 2zp5, 1c74, 1kvw, 1kvx, 1kvy, 1ceh, 1mks, 1mku, 1vkq, 1vl9, 2bax, 2bch, 2bd1, 1o3w, 1gh4 – bPLA2 (mutant) – bovine
1bvm – bPLA2 - NMR
1qll, 2q2j – PLA2 – Bothrops pirajai
2qog – PLA2 – Crotalus durissus
2ph4 – PLA2 – Zhaoermia mangshanensis
2h4c, 1q6v – IvPLA2 – Indian viper
1vpi – PLA2 – sand viper
2osn, 1fe5, 1dpy – kPLA2 – krait
1g0z, 1g2x – kPLA2 (mutant)
2wg7, 2wg8 – rPLA2 – rice
1p2p, 4p2p – pPLA2 - pig
1y6p, 2phi, 3p2p – pPLA2 (mutant) – pig
1sfv, 1sfw, 1pir, 1pis – pPLA2 - NMR
1yxh – NsPLA2 – Naja sagittifera
1oz6, 2qhe – PLA2 – Echis carinatus
1it4, 1it5 – PLA2 – Stretomyces violaceoruber – NMR
1mg6 – PLA2 – Agkistrodon acutus
1s8g, 1s8h, 1s8i – PLA2 – copperhead
1ijl – PLA2 – Deinagkistrodon acutus
1mc2, 4hg9 – PLA2 – Chinese moccasin
1c74, 1kvw, 1kvx, 1kvy, 1ceh – bPLA2 (mutant) – bovine
1b4w, 1jia, 1c1j – AhPLA2 - Agkistrodon halys
1a2a, 1m8r, 1m8s, 1psj – PLA2 – Gloydius halys
1a3d, 1a3f, 1ln8, 1mh2, 1mh8, 1ows, 1poa, 1psh, 1s6b, 1sz8, 1xxw, 1y75, 1yxl, 1yxh – PLA2 – Naja naja
1mh7 - PLA2 – Naja sagittifera
2osh – PLA2 – Chinese cobra
1ae7, 2not, 4e4c – PLA2 – Notechis scutatus
1aok, 1jlt, 1q5t, 1rgb, 3dih, 3g8g, 3g8h – PLA2 – Vipera ammodytes
2i0u – PLA2 – Vipera nikolskii
1ayp, 1bbc, 1pod – hPLA2 – human
1rlw – hPLA2 CALB domain
1faz, 1kp4 – PLA2 – Streptomyces violaceruber
1god – PLA2 – Cerrophidion godmani
1gp7, 1m8t – PLA2 – Ophiophagus hanna
1ozy, 1p7o, 1pwo – PLA2 – Micropechis ikahena
1pp2 – PLA2 – rattlesnake
1ppa, 1vap – PLA2 – cottonmouth
1u4j – PLA2 – Bungarus caeruleus
2aoz – PLA2 – Atropoides nummifer
3v9m – PLA2 – king brown snake

PLA2 group I

3elo – hPLA2G1B
3q4y - PLA2G1 - Andaman cobra
3fvi, 3fvj – pPLA2G1B+octyl sulfate
3qlm - pPLA2G1B + hexadecanoic acid
3l30, 3l69, 3tt5, 4dbk - pPLA2G1B+berberine derivative
4g5i – pPLA2 + DBP
4o1y – pPLA2 + naphthalene acetic acid
3osh – NnPLA2G1+atropine

PLA2 group II

1j1a, 3u8b – hPLA2G2A
1n28, 1n29 – hPLA2G2A (mutant)
1cl5, 1fb2, 1vip, 2pvt, 2pyc – DrPLA2 – Daboia russellii
2qhw – DrPLA2 + gramine derivative
2que – DrPLA2 + ajamaline + anisic acid
1kqu, 1kvo – hPLA2G2A+substrate analog
3u8d, 3u8h, 3u8i, 4hmb - hPLA2G2A + inhibitor
3g8f – DrPLA2G2+polypeptide
3mlm – PLA2G2 + myristic acid – Neuwiedi lancehead
4fga, 4gfy, 4gld – DrPLA2 + polypeptide

PLA2 group V

4h0q – PLA2 – chinese green tree viper

Human PLA2 group X

1le6, 1le7 – hPLA2G10

Human PLA2 group XVI

2kyt, 4dot, 4fa0 – hPLA2G16 N-terminal

PLA2 group XIII

4aup – PLA13 – whitish truffle

PLA2+inhibitor

3o4m, 3hsw – PLA2+inhibitor
2azy, 2azz, 2b00, 2b01, 2b03, 2b04 – pPLA2+cholate derivative
1y6o, 1fx9, 1fxf – pPLA2+MJ33
1l8s – pPLA2+LPC-ether
5p2p – pPLA2+substrate analog
3nju – PLA2 group I+4-methoxy-benzoic acid – Andaman cobra
2wq5 – PLA2+minocyclin – Indian cobra
1oxl – IcPLA2+indole
3h1x, 3fo7 – IvPLA2+indomethacin
3fg5 – IvPLA2+pentapeptide+ajmaline
3cbi – IvPLA2+anisic acid+ajmaline
2qu9 – IvPLA2+eugenol
2otf – IvPLA2+atenolol
1zwp - IvPLA2+nimesulide
1th6 - IvPLA2+atropine
1td7 - IvPLA2+niflumic acid
1tgm - IvPLA2+aspirin
2wg9 – rPLA2+octanoic acid
1oxr – NsPLA2+aspirin
1bk9 – AhPLA2+PBPB
1fdk – bPLA2+MJ33
1mkv – bPLA2+transition state analog
1o2e – bPLA2 (mutant)+anisic acid
2b96 - bPLA2+benzoic acid derivative
3bp2 – bPLA2+pyruvic acid
1pob -NnPLA2+transition state analog
1poc - PLA2+transition state analog – Honey bee
1db4, 1db5, 1dcy – hPLA2+indole
1poe – hPLA2+phosphonyl inhibitor
1fv0 – DrPLA2+aristolochic acid
1sv3 - DrPLA2+benzoic acid derivative
1tp2, 2pws, 2q1p – DrPLA2+fatty acid
1sv9, 1sxk, 1zyx, 2b17, 2qvd – DrPLA2+anti-inflammatory agent
1kpm – DrPLA2+vitamin E
1oyf – DrPLA2+venom-6 methyl-heptanol
1q7a – DrPLA2+oxyphenabutazone
1y38 – DrPLA2+glycerophosphate
1zr8 – DrPLA2+ajmaline
2arm – DrPLA2+atropine
2dpz – DrPLA2 +hydroxyphenyl acetamide
2oli, 2oth, 2oyf – DrPLA2+indole derivative
2oub – DrPLA2+atenolol
2pmj – DrPLA2+benzopyrone
2zbh – DrPLA2+bavachalcone
4eix - DrPLA2+indomethacin + nimesulide
1po8, 1tc8 – kPLA2+fatty acid
1xxs – PLA2+fatty acid – Bothrops moojeni
2qhd – EcPLA2+fatty acid
3bjw – EcPLA2+suramin
1y4l – PLA2+suramin – Bothrops asper

PLA2+polypeptide

2o1n, 2d02, 2fnx, 1zm6, 1tdv, 1tg4, 1t37 - IvPLA2+polypeptide
1jq8, 1jq9 - DsPLA2+polypeptide
1mf4, 2rd4, 3gci, 3jq5, 3jql, 3jti - NnPLA2+polypeptide
1skg, 1sqz, 1tg1, 1tj9, 1tjk, 1tk4, 2do2, 2g58, 2gns, 2pb8 - DrPLA2+polypeptide


Bothrops toxins

3i3h, 3i3i, 3hzd, 2oqd, 1zlb, 1umv, 1u73, 1zl7 – BTX
3jr8 – BTXD+Ca
3hzw, 3i03 – BTX+BPB
3iq3, 2h8i – BTX + PEG
1z76 – BTX+bromophenacyl
1gmz, 1qll, 2q2j, 2ok9 - PTX
3cyl – PTX+α-tocopherol

Viperotoxin

1oqs – DrRV4/RV7

cPLA2

1bci – h-cPLA2 C2 domain
1cjy - h-cPLA2

Pro-PLA2

1hn4 – pPPLA2+MJ33
4bp2 – bPPLA2

References

  1. Crystal structure of porcine pancreatic phospholipase a2 in complex with 2-methoxycyclohexa-2-5-diene-1,4-dione. Dileep KV, Tintu I, Mandal PK, Karthe P, Haridas M, Sadasivan C. Frontiers In Life Sci. (2012) doi:http://dx.doi.org/10.1080/21553769.2012.689262

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