MolNFT v1 · #172510 · protein
Structure of small high-light grown chlorella ohadii photosystem I
7A4P · Photosystem I P700 chlorophyll a apoprotein A1: “Structure of small high-light grown chlorella ohadii photosystem I”. Electron microscopy, 28 ligands (CLA, BCR, CHL), 20 pockets (best druggability 0.82). MolNFT v1 #172510 on…
- PDB
- 7A4P
- Type
- protein
- Length
- 4,086 residues
- Chains
- 20
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Photosystem I P700 chlorophyll a apoprotein A1; Photosystem I P700 chlorophyll a…
- EC
- 1.97.1.12
- UniProt
- W8SY74, W8SUA3, W8SKM2, A0A2P6TKF8, A0A2P6U4S6, A0A2P6TPV8, A0A2P6TZI8, W8SUD1, A0A2P6U0J1, W8SU98, W8SIP9, A0A2P6TC44, A0A2P6TT36, A0A2P6TMT4, A0A2P6TQ14, A0A2P6U4K1, A0A2P6TPR7, A0A2P6TS63, A0A2P6TZ50
- Ligands
- CLA, BCR, CHL, LHG, LUT, PTY, DGD, SF4, LAP, 4RF, PQN, PCW, SQD, LPX, OLA, QTB…
- Pockets
- 20 · best druggability 0.82
Structure
electron microscopy · 19 distinct chains · 53% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Photosystem I P700 chlorophyll a apoprotein A1 (EC 1.97.1.12) | protein | 741 | 60% helix, 5% strand | W8SY74 |
| B | Photosystem I P700 chlorophyll a apoprotein A2 (EC 1.97.1.12) | protein | 731 | 61% helix, 2% strand | W8SUA3 |
| C | Photosystem I iron-sulfur center (EC 1.97.1.12) | protein | 80 | 15% helix, 20% strand | W8SKM2 |
| D | Photosystem I reaction center subunit chloroplastic | protein | 143 | 15% helix, 24% strand | A0A2P6TKF8 |
| E | Photosystem I reaction center subunit IV | protein | 64 | 0% helix, 34% strand | A0A2P6U4S6 |
| F | Psi-F | protein | 165 | 55% helix, 4% strand | A0A2P6TPV8 |
| G | Photosystem I reaction center subunit chloroplastic | protein | 99 | 65% helix, 4% strand | A0A2P6TZI8 |
| J | Photosystem I reaction center subunit IX | protein | 41 | 71% helix, 2% strand | W8SUD1 |
| K | Psi-K | protein | 86 | 48% helix, 3% strand | A0A2P6U0J1 |
| M | Photosystem I reaction center subunit XII | protein | 31 | 84% helix, 0% strand | W8SU98 |
| I | Photosystem I reaction center subunit VIII | protein | 35 | 74% helix, 0% strand | W8SIP9 |
| L | Psi subunit V | protein | 140 | 65% helix, 4% strand | A0A2P6TC44 |
| 1, a | Chlorophyll a-B binding protein, chloroplastic | protein | 192 | 49% helix, 0% strand | A0A2P6TT36 |
| 3 | Glutathione reductase | protein | 241 | 49% helix, 1% strand | A0A2P6TMT4 |
| 4 | Chlorophyll a-B binding protein, chloroplastic | protein | 207 | 49% helix, 1% strand | A0A2P6TQ14 |
| 5 | Chlorophyll a-B binding protein, chloroplastic | protein | 227 | 48% helix, 5% strand | A0A2P6U4K1 |
| 6 | Chlorophyll a-B binding protein, chloroplastic | protein | 231 | 46% helix, 6% strand | A0A2P6TPR7 |
| 7 | Chlorophyll a-B binding protein, chloroplastic | protein | 221 | 52% helix, 1% strand | A0A2P6TS63 |
| 8 | Chlorophyll a-B binding protein, chloroplastic | protein | 219 | 50% helix, 0% strand | A0A2P6TZ50 |
Ligands and binding sites
- CLA · Chlorophyll A · ligand · 200 copies · chains A, B, J, 3, K, L, F, M, I, G, 1, 7, 8, a, 4, 5, 6
- BCR · Beta-carotene · ligand · 31 copies · chains A, B, F, J, G, K, I, L, 3, 5, 4, 6, 7, 8
- CHL · Chlorophyll B · ligand · 22 copies · chains 1, 8, a, 4, 3, 6, 5, 7, F
- LHG · 1,2-dipalmitoyl-phosphatidyl-glycerole · ligand · 20 copies · chains A, 3, B, 1, F, J, 7, 8, a, 4, 6, 5
- LUT · (3R,3'R,6S)-4,5-didehydro-5,6-dihydro-beta,beta-carotene-3,3'-diol · ligand · 18 copies · chains 1, G, a, 3, 4, 5, 6, 7, 8
- PTY · Phosphatidylethanolamine · ligand · 5 copies · chains B, F, J, A, 3, 7, 5, 4, 1, 8
- DGD · Digalactosyl diacyl glycerol (dgdg) · ligand · 3 copies · chains A, J, B, C, 4, 8
- SF4 · Iron/sulfur cluster · ligand · 3 copies · chains A, B, C
- LAP · [2-((1-oxododecanoxy-(2-hydroxy-3-propanyl))-phosphonate-oxy)-ethyl]-trimethylammonium · ligand · 3 copies · chains F, A, K, 3
- 4RF · Tripalmitoylglycerol · ligand · 3 copies · chains F, J, 7, 8
- PQN · Phylloquinone · ligand · 2 copies · chains A, B
- PCW · 1,2-dioleoyl-sn-glycero-3-phosphocholine · ligand · 2 copies · chains A, F, 6, 7
- SQD · 1,2-di-O-acyl-3-O-[6-deoxy-6-sulfo-alpha-D-glucopyranosyl]-sn-glycerol · ligand · 2 copies · chains B, G, 6, 7
- LPX · (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate · ligand · 2 copies · chains F, J, 1, a
- OLA · Oleic acid · ligand · 2 copies · chains 1, 8
- QTB · (3~{E},5~{E},7~{E})-6-methyl-8-[(6~{R})-2,2,6-trimethylcyclohexyl]octa-3,5,7-trien-2-one · ligand · 2 copies · chains a, 3
- PLM · Palmitic acid · ligand · 2 copies · chains a, 8, 6, 7
- DGA · Diacyl glycerol · ligand · 2 copies · chains 5, F, 8
- CL0 · Chlorophyll A isomer · ligand · chains A, B
- 3PH · 1,2-diacyl-glycerol-3-sn-phosphate · ligand · chains A, J, 7
- ERG · Ergosterol · ligand · chains G, 1
- RRX · (3R)-beta,beta-caroten-3-ol · ligand · chains A, J
- ECH · beta,beta-caroten-4-one · ligand · chains B, M
- GG0 · 2-(2-azanylethanoylamino)ethanoic acid · ligand · chains a
- SPH · Sphingosine · ligand · chains 5, 6
- XAT · (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-diepoxy-5,6,5',6'-tetrahydro-beta,beta-carotene-3,3'-diol · ligand · chains 7
- C7Z · (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E}, 9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol · ligand · chains 7, 8
- P5S · O-[(R)-{[(2R)-2,3-bis(octadecanoyloxy) propyl]oxy}(hydroxy)phosphoryl]-L-serine · ligand · chains 8
- LMT · Dodecyl-beta-D-maltoside · additive · 3 copies · chains A, 3, 7, G, 1
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 608 | 0.82 | 0.86 | 60 | CL0, CLA |
| 2 | 936 | 0.81 | 0.83 | 84 | DGD |
| 3 | 1000 | 0.76 | 0.78 | 134 | CLA, LHG |
| 4 | 1050 | 0.75 | 0.77 | 133 | CLA, PTY |
| 5 | 488 | 0.70 | 0.80 | 53 | empty |
Interfaces
43 interfaces between chains.
- A–B · 3459 Ų buried · 31 hydrogen bonds · protein-protein
- C–D · 1487 Ų buried · 20 hydrogen bonds · protein-protein
- B–G · 1482 Ų buried · 15 hydrogen bonds · protein-protein
- B–F · 1126 Ų buried · 14 hydrogen bonds · protein-protein
- A–F · 1119 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide, 1 covalent (disulfide, covalent ligand).
Compared structures
- 7A4P · Structure of small high-light grown Chlorella ohadii photosystem I · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt W8SY74
- Every structure of UniProt W8SUA3
- Every structure of UniProt W8SKM2
- Every structure of UniProt A0A2P6TKF8
- Every structure of UniProt A0A2P6U4S6
- Every structure of UniProt A0A2P6TPV8
- Every structure of UniProt A0A2P6TZI8
- Every structure of UniProt W8SUD1
- Every structure of UniProt A0A2P6U0J1
- Every structure of UniProt W8SU98
- Every structure of UniProt W8SIP9
- Every structure of UniProt A0A2P6TC44
- Every structure of UniProt A0A2P6TT36
- Every structure of UniProt A0A2P6TMT4
- Every structure of UniProt A0A2P6TQ14
- Every structure of UniProt A0A2P6U4K1
- Every structure of UniProt A0A2P6TPR7
- Every structure of UniProt A0A2P6TS63
- Every structure of UniProt A0A2P6TZ50
- Elsewhere: RCSB PDB 7A4P · PDBe 7A4P · UniProt W8SY74 · UniProt W8SUA3 · UniProt W8SKM2 · UniProt A0A2P6TKF8 · UniProt A0A2P6U4S6 · UniProt A0A2P6TPV8 · UniProt A0A2P6TZI8 · UniProt W8SUD1 · UniProt A0A2P6U0J1 · UniProt W8SU98 · UniProt W8SIP9 · UniProt A0A2P6TC44 · UniProt A0A2P6TT36 · UniProt A0A2P6TMT4 · UniProt A0A2P6TQ14 · UniProt A0A2P6U4K1 · UniProt A0A2P6TPR7 · UniProt A0A2P6TS63 · UniProt A0A2P6TZ50
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