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Structure of the phycobilisome from the red alga Porphyridium purpureum

Analyse Structure of the phycobilisome from the red alga Porphyridium purpureum in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6KGX
Type
protein
Length
125,515 residues
Chains
706
Method
electron microscopy
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.8
Source
Porphyridium purpureum
Molecule
Phycoerythrin alpha subunit; B-phycoerythrin beta chain; LR7; LR2_Hb; LR9; LR1; LR4…
UniProt
E2IH77, P11393, W0RZ90, W0RYI4, W0RZB2, W0RYM0, W0S279, W0S1U6, W0RZE2, W0RZJ2
Ligands
PEB, CYC, PUB
Pockets
20 · best druggability 0.90

Structure

electron microscopy · resolution 2.8 · 32 distinct chains · 45% helix, 2% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A1, C1, E1, G1, I1, K1, N1, P1, R1, T1, V1, X1, c1, e1, g1, i1, k1, m1, p1, r1, t1, v1, x1, z1, O2, Q2, S2, U2, W2, Z2, b2, d2, f2, h2, j2, l2, A3, C3, E3, G3, I3, K3, M3, O3, Q3, S3, U3, W3, A4, C4, E4, G4, I4, K4, N4, P4, R4, T4, V4, X4, c4, e4, g4, i4, k4, m4, p4, r4, t4, v4, x4, z4, J5, O6, Q6, S6, U6, W6, Z6, b6, d6, f6, h6, j6, l6, O7, Q7, S7, U7, W7, Z7, b7, d7, f7, h7, j7, l7, C8, E8, G8, I8, K8, M8, O8, Q8, S8, U8, W8, Y8, a8, d8, f8, h8, j8, l8, B9, D9, F9, H9, J9, L9, N9, P9, R9, T9, V9, X9, CA, EA, GA, IA, KA, MA, OA, QA, SA, UA, WA, YA, aA, dA, fA, hA, jA, lA, OB, QB, SB, UB, WB, ZB, bB, dB, fB, hB, jB, lB, JC, AD, CD, ED, GD, ID, KD, MD, OD, QD, SD, UD, WD, AE, CE, EE, GE, IE, KE, ME, OE, QE, SE, UE, WE, YE, aE, cE, eE, gE, iE, kE, mE, oE, qE, sE, uE, OF, QF, SF, UF, WF, ZF, bF, dF, fF, hF, jF, lF, AG, CG, EG, GG, IG, KG, MG, OG, QG, SG, UG, WG, YG, aG, cG, eG, gG, iG, kG, mG, oG, qG, sG, uG, OI, QI, SI, UI, WI, ZI, bI, dI, fI, hI, jI, lI, BJ, DJ, FJ, HJ, JJ, LJ, NJ, PJ, RJ, TJ, VJ, XJPhycoerythrin alpha subunitprotein16445% helix, 0% strandE2IH77
B1, D1, F1, H1, J1, L1, O1, Q1, S1, U1, W1, Y1, d1, f1, h1, j1, l1, n1, q1, s1, u1, w1, y1, 11, P2, R2, T2, V2, Y2, a2, c2, e2, g2, i2, k2, m2, B3, D3, F3, H3, J3, L3, N3, P3, R3, T3, V3, X3, B4, D4, F4, H4, J4, L4, O4, Q4, S4, U4, W4, Y4, d4, f4, h4, j4, l4, n4, q4, s4, u4, w4, y4, 14, I5, K5, P6, R6, T6, V6, Y6, a6, c6, e6, g6, i6, k6, m6, P7, R7, T7, V7, Y7, a7, c7, e7, g7, i7, k7, m7, D8, F8, H8, J8, L8, N8, P8, R8, T8, V8, X8, Z8, c8, e8, g8, i8, k8, m8, C9, E9, G9, I9, K9, M9, O9, Q9, S9, U9, W9, Y9, DA, FA, HA, JA, LA, NA, PA, RA, TA, VA, XA, ZA, cA, eA, gA, iA, kA, mA, PB, RB, TB, VB, YB, aB, cB, eB, gB, iB, kB, mB, KC, BD, DD, FD, HD, JD, LD, ND, PD, RD, TD, VD, XD, BE, DE, FE, HE, JE, LE, NE, PE, RE, TE, VE, XE, ZE, bE, dE, fE, hE, jE, lE, nE, pE, rE, tE, vE, PF, RF, TF, VF, YF, aF, cF, eF, gF, iF, kF, mF, BG, DG, FG, HG, JG, LG, NG, PG, RG, TG, VG, XG, ZG, bG, dG, fG, hG, jG, lG, nG, pG, rG, tG, vG, PI, RI, TI, VI, YI, aI, cI, eI, gI, iI, kI, mI, CJ, EJ, GJ, IJ, KJ, MJ, OJ, QJ, SJ, UJ, WJ, YJB-phycoerythrin beta chainprotein17742% helix, 0% strandP11393
M1, 21, M4, 24LR7protein23840% helix, 0% strand—
Z1, a1, Z4, a4, A5, B5, C5, F5, G5, H5, L5, AC, BC, CC, FC, GC, HC, LCB-phycoerythrin beta chainprotein14664% helix, 0% strandP11393
b1, b4LR2_Hbprotein32333% helix, 3% strand—
o1, o4LR2_Hbprotein21227% helix, 0% strand—
31, 34LR9protein28526% helix, 12% strand—
X2, X6, X7, XB, XF, XILR1protein32435% helix, 5% strand—
A2, A6, A7, AB, AF, AILR4protein25751% helix, 0% strand—
B2, BIPhycobilisome rod-core linker polypeptideprotein23043% helix, 1% strandW0RZ90
C2, E2, G2, I2, K2, M2, C6, E6, G6, I6, K6, M6, C7, E7, G7, I7, K7, M7, CB, EB, GB, IB, KB, MB, CF, EF, GF, IF, KF, MF, CI, EI, GI, II, KI, MIC-phycocyanin alpha subunitprotein16274% helix, 0% strandW0RYI4
D2, F2, H2, J2, L2, N2, D6, F6, H6, J6, L6, N6, D7, F7, H7, J7, L7, N7, DB, FB, HB, JB, LB, NB, DF, FF, HF, JF, LF, NF, DI, FI, HI, JI, LI, NIC-phycocyanin beta subunitprotein17273% helix, 0% strandW0RZB2
e3, eDLR2protein24839% helix, 2% strand—
Y3, YDLR4protein23730% helix, 0% strand—
B6, BBPhycobilisome rod-core linker polypeptideprotein23140% helix, 1% strandW0RZ90
B7, BFPhycobilisome rod-core linker polypeptideprotein22739% helix, 1% strandW0RZ90
b8, bALRC2protein38043% helix, 2% strand—
A8, AA, wE, xE, wG, xGLR5protein23856% helix, 0% strand—
B8, BA, yE, yGLR8protein25063% helix, 1% strand—
d9, dJLR3protein28534% helix, 2% strand—
A9, AJLR4protein25632% helix, 0% strand—
ICB-phycoerythrin beta chainprotein17652% helix, 0% strandP11393
zE, zGLRC3protein37046% helix, 1% strand—
AH, CH, EH, GH, JH, KH, NH, PH, RH, TH, cH, eH, gH, iH, lH, mH, pH, rH, tH, vHAllophycocyanin alpha subunitprotein16073% helix, 0% strandW0RYM0
DH, FH, BH, HH, IH, LH, MH, OH, QH, SH, UH, dH, fH, hH, jH, kH, nH, oH, qH, sH, uH, wHAllophycocyanin beta subunitprotein16178% helix, 0% strandW0S279
VH, xHAllophycocyanin gamma subunitprotein16074% helix, 0% strandW0S1U6
WH, yHAllophycocyanin beta 18 subunitprotein17375% helix, 0% strandW0RZE2
XH, zHLcprotein9218% helix, 23% strand—
YH, 1HPhycobilisome linker polypeptideprotein84450% helix, 2% strandW0RZJ2
ZH, 2HLRC4protein13227% helix, 2% strand—
aH, 3HLRC5protein25324% helix, 3% strand—
bH, 4HLRC6protein20631% helix, 17% strand—

Ligands and binding sites

  • PEB · Phycoerythrobilin · ligand · 1430 copies · chains A1, J1, B1, M1, C1, H1, D1, E1, F1, G1, L1, CD, I1, K1, KG, N1, W1, P1, Q1, O1, b1, C9, U1, R1, T1, S1, Z1, Y1, V1, X1, YH, aH, a1, c1, l1, e1, f1, d1, j1, o1, g1, i1, h1, n1, k1, m1, p1, y1, q1, 21, r1, w1, s1, t1, u1, v1, f2, 11, x1, z1, A2, l2, j2, C2, D2, M2, E2, F2, K2, G2, H2, I2, J2, M8, L2, N2, O2, Y2, X2, P2, Q2, e2, V2, FF, PF, R2, S2, 34, T2, U2, i2, a2, W2, Z2, O6, eD, b2, k2, c2, d2, g2, h2, m2, e3, WI, A3, J3, B3, Y3, C3, H3, G4, D3, E3, F3, G3, L3, P4, I3, K3, M3, V3, N3, O3, T3, lA, P3, Q3, R3, S3, X3, 31, U3, LJ, W3, HC, A4, J4, B4, M4, C4, H4, D4, E4, F4, L4, I4, K4, KE, N4, W4, Q4, O4, b4, CJ, U4, R4, T4, S4, Z4, Y4, V4, X4, 1H, 3H, a4, c4, l4, e4, f4, d4, j4, o4, g4, i4, h4, n4, k4, m4, p4, y4, q4, 24, r4, w4, s4, t4, u4, v4, fI, 14, dA, x4, z4, OA, A5, B5, CB, DB, C5, F5, G5, H5, I5, bA, 4H, JA, NA, J5, ZH, K5, L5, A6, b6, k6, C6, D6, M6, gE, B6, G6, I6, J6, H6, E6, F6, K6, L6, N6, Y6, Q6, R6, X6, P6, V6, BC, c6, S6, U6, T6, d9, a6, g6, W6, E9, Z6, d6, i6, e6, f6, h6, m6, j6, l6, A7, c7, f7, h7, C7, D7, M7, E7, F7, K7, G7, H7, I7, J7, L7, N7, O7, Y7, Q7, R7, X7, P7, V7, S7, U7, T7, a7, g7, W7, Z7, b7, k7, d7, e7, i7, m7, j7, l7, A8, d8, B8, C8, L8, E8, F8, D8, J8, b8, G8, I8, H8, N8, K8, bH, O8, X8, Q8, R8, P8, V8, S8, U8, T8, Z8, W8, Y8, a8, k8, e8, c8, i8, f8, h8, g8, m8, j8, l8, A9, T9, Y9, R9, B9, K9, D9, I9, F9, H9, G9, U9, M9, J9, L9, N9, W9, P9, Q9, O9, S9, V9, X9, AA, BA, CA, LA, AC, EA, FA, DA, GA, IA, HA, KA, MA, XA, QA, RA, PA, VA, SA, UA, TA, ZA, WA, YA, VI, SI, aA, kA, eA, cA, iA, fA, hA, gA, mA, jA, AB, bB, kB, MB, gG, BB, GB, IB, JB, KI, HB, EB, FB, KB, LB, NB, OB, YB, QB, RB, XB, PB, VB, cB, SB, UB, TB, dJ, aB, WB, EJ, ZB, dB, iB, eB, fB, hB, gB, mB, jB, FC, lB, CC, GC, IC, JC, 2H, KC, LC, AD, JD, BD, YD, HD, DD, ED, FD, GD, LD, ID, KD, MD, VD, ND, OD, TD, PD, QD, RD, SD, XD, UD, WD, AE, JE, BE, zE, CE, HE, DE, EE, FE, yE, TE, GE, LE, EH, IE, XE, ME, VE, OE, PE, NE, bE, QE, SE, RE, UE, WE, wE, YE, hE, aE, ZE, fE, iE, cE, KF, eE, dE, rE, jE, xE, kE, tE, mE, nE, lE, uE, oE, qE, pE, vE, sE, AF, cF, fF, hF, CF, DF, MF, EF, GF, HF, IF, JF, LF, NF, OF, YF, QF, RF, XF, VF, SF, TF, UF, aF, gF, WF, ZF, bF, kF, dF, eF, iF, mF, jF, lF, AG, JG, BG, zG, CG, HG, DG, EG, FG, yG, TG, GG, LG, gH, IG, XG, MG, VG, OG, PG, NG, bG, QG, SG, RG, UG, wG, WG, YG, hG, aG, ZG, fG, cG, eG, dG, rG, jG, iG, xG, kG, tG, mG, nG, lG, oG, qG, pG, vG, sG, uG, AI, lI, jI, CI, DI, MI, EI, FI, GI, HI, II, JI, LI, NI, OI, YI, XI, PI, QI, eI, RI, TI, UI, iI, aI, ZI, bI, kI, cI, dI, gI, hI, mI, AJ, TJ, RJ, OJ, BJ, KJ, DJ, IJ, FJ, GJ, UJ, HJ, MJ, JJ, NJ, WJ, PJ, QJ, SJ, YJ, VJ, XJ
  • CYC · Phycocyanobilin · ligand · 120 copies · chains C2, F2, X2, D2, E2, H2, B2, G2, I2, L2, J2, K2, N2, M2, B6, J6, N6, C6, F6, X6, D6, E6, H6, G6, I6, L6, K6, M6, C7, F7, X7, D7, E7, H7, G7, B7, I7, L7, J7, M7, K7, N7, BB, JB, CB, FB, XB, DB, EB, HB, GB, IB, LB, KB, NB, MB, CF, FF, XF, DF, GF, EF, HF, BF, IF, LF, JF, MF, KF, NF, AH, FH, CH, BH, YH, DH, EH, GH, IH, HH, JH, b8, KH, MH, LH, XH, bH, zG, NH, OH, PH, SH, QH, RH, UH, TH, 3H, ZH, VH, WH, cH, fH, dH, 1H, eH, hH, gH, iH, kH, jH, lH, bA, mH, oH, nH, zH, 4H, zE, pH, qH, xH, rH, uH, sH, tH, wH, aH, vH, BI, 2H, yH, CI, FI, XI, DI, EI, HI, GI, II, LI, JI, KI, NI, MI
  • PUB · Phycourobilin · ligand · 48 copies · chains A1, C1, M1, I1, K1, x1, z1, 21, p1, r1, A2, f2, h2, b2, d2, I3, K3, Y3, A3, C3, A4, C4, M4, I4, K4, x4, z4, 24, p4, r4, A6, f6, h6, j6, l6, A7, j7, l7, b7, d7, A8, j8, l8, f8, h8, B8, S8, U8, O8, Q8, A9, V9, X9, N9, P9, AA, jA, lA, fA, hA, BA, SA, UA, OA, QA, AB, fB, hB, jB, lB, ID, KD, YD, AD, CD, gE, iE, wE, YE, aE, xE, kE, mE, sE, uE, ME, OE, yE, UE, WE, AF, jF, lF, bF, dF, gG, iG, wG, YG, aG, xG, kG, mG, sG, uG, MG, OG, yG, UG, WG, AI, fI, hI, bI, dI, AJ, VJ, XJ, NJ, PJ

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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19460.900.9399CYC
210950.900.9299PEB
321400.890.91203PEB
415870.890.91149CYC
533840.890.91266CYC

Interfaces

3,011 interfaces between chains.

  • HH–YH · 2550 Ų buried · 23 hydrogen bonds · protein-protein
  • jH–1H · 2539 Ų buried · 23 hydrogen bonds · protein-protein
  • b8–F8 · 1915 Ų buried · 18 hydrogen bonds · protein-protein
  • bA–FA · 1901 Ų buried · 19 hydrogen bonds · protein-protein
  • JB–aH · 1857 Ų buried · 22 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4550 cofactor, 332 modified, 107 covalent (phycoerythrobilin attachment, nonstandard, phycocyanobilin attachment, covalent ligand).

Compared structures

  • P11393 · AlphaFold monomer V2.0 prediction for B-phycoerythrin beta chain (P11393) · a predicted model of the same protein · chain Z1 against A, TM-score 0.96

Analyse

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