Receptor
PDB id Resolution Class Description Source Keywords
3IIS 1.4 Å NON-ENZYME: BINDING STRUCTURE OF THE RECONSTITUTED PERIDININ-CHLOROPHYLL A-PROTE AMPHIDINIUM CARTERAE ALPHA HELICAL LIGHT HARVESTING PROTEIN PHOTOSYNTHESIS CARDINOFLAGELLATES CHLOROPHYLL CHLOROPLAST CHROMOPHORE LIGHARVESTING POLYPEPTIDE TRANSIT PEPTIDE
Ref.: IDENTIFICATION OF A SINGLE PERIDININ SENSING CHL-A EXCITATION IN RECONSTITUTED PCP BY CRYSTALLOGRAPHY SPECTROSCOPY. PROC.NATL.ACAD.SCI.USA V. 106 20764 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CD M:151;
M:152;
M:153;
M:154;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
112.411 Cd [Cd+2...
CL M:158;
M:159;
M:160;
M:161;
M:162;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
CLA M:601;
Part of Protein;
none;
submit data
893.489 C55 H72 Mg N4 O5 CCC1=...
J7Z M:615;
Invalid;
none;
submit data
957.193 C53 H80 O15 CC/C=...
K M:155;
M:156;
M:157;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
39.098 K [K+]
PID M:611;
M:612;
M:613;
M:614;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
630.81 C39 H50 O7 CC(=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3IIS 1.4 Å NON-ENZYME: BINDING STRUCTURE OF THE RECONSTITUTED PERIDININ-CHLOROPHYLL A-PROTE AMPHIDINIUM CARTERAE ALPHA HELICAL LIGHT HARVESTING PROTEIN PHOTOSYNTHESIS CARDINOFLAGELLATES CHLOROPHYLL CHLOROPLAST CHROMOPHORE LIGHARVESTING POLYPEPTIDE TRANSIT PEPTIDE
Ref.: IDENTIFICATION OF A SINGLE PERIDININ SENSING CHL-A EXCITATION IN RECONSTITUTED PCP BY CRYSTALLOGRAPHY SPECTROSCOPY. PROC.NATL.ACAD.SCI.USA V. 106 20764 2009
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 3IIS - PID C39 H50 O7 CC(=CC=CC=....
2 2X21 - DGD C51 H96 O15 CCCCCCCCCC....
3 2X20 - DGD C51 H96 O15 CCCCCCCCCC....
4 3IIU - PID C39 H50 O7 CC(=CC=CC=....
5 2X1Z - DGD C51 H96 O15 CCCCCCCCCC....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 3IIS - PID C39 H50 O7 CC(=CC=CC=....
2 2X21 - DGD C51 H96 O15 CCCCCCCCCC....
3 2X20 - DGD C51 H96 O15 CCCCCCCCCC....
4 3IIU - PID C39 H50 O7 CC(=CC=CC=....
5 2X1Z - DGD C51 H96 O15 CCCCCCCCCC....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 3IIS - PID C39 H50 O7 CC(=CC=CC=....
2 2X21 - DGD C51 H96 O15 CCCCCCCCCC....
3 2X20 - DGD C51 H96 O15 CCCCCCCCCC....
4 3IIU - PID C39 H50 O7 CC(=CC=CC=....
5 2X1Z - DGD C51 H96 O15 CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PID; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 PID 1 1
2 NEX 0.438017 0.818182
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3IIS; Ligand: PID; Similar sites found: 139
This union binding pocket(no: 1) in the query (biounit: 3iis.bio1) has 67 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.001407 0.54598 None
2 4F8L GAL 0.00857 0.49769 None
3 3MAG 3MA 0.0215 0.46481 None
4 2QLX RM4 0.01081 0.46119 None
5 4F4S EFO 0.005803 0.45806 None
6 2VKL MLT 0.03938 0.44911 None
7 3KPE TM3 0.02643 0.43539 None
8 1Y75 NAG 0.01521 0.43345 None
9 2FR6 CTN 0.008244 0.42263 None
10 1SG4 CO8 0.002374 0.42146 None
11 1LNX URI 0.04382 0.4155 None
12 1QZZ SAM 0.0323 0.40748 None
13 3KMT SAH 0.03324 0.40693 None
14 1S8F GDP 0.04279 0.40211 None
15 4E28 9MZ 0.004391 0.47539 1.3245
16 4E28 0MZ 0.005377 0.46506 1.3245
17 1U5R ATP 0.009619 0.42672 1.3245
18 2IYG FMN 0.04058 0.40631 1.6129
19 1YRX FMN 0.0408 0.40302 1.65289
20 1PEA ACM 0.006353 0.48021 1.98676
21 3UEC ALA ARG TPO LYS 0.008849 0.46579 1.98676
22 2JBH 5GP 0.0206 0.42724 1.98676
23 2O66 FLC 0.02226 0.43436 2.22222
24 2PR5 FMN 0.01616 0.41081 2.27273
25 3RF4 FUN 0.01827 0.43401 2.58621
26 2IZ1 ATR 0.005762 0.46935 2.64901
27 4M5P 23W 0.04521 0.43327 2.64901
28 3SHR CMP 0.01441 0.43038 2.64901
29 2YCD GTB 0.04176 0.40575 2.64901
30 2Y6P CTP 0.0007526 0.48877 3.31126
31 2QCX PF1 0.007094 0.45908 3.31126
32 3GX0 GDS 0.003208 0.43555 3.31126
33 1TFZ 869 0.003229 0.43544 3.31126
34 3NFZ 3NF 0.01063 0.43236 3.31126
35 2Q1A 2KT 0.03851 0.42691 3.31126
36 2Z9V PXM 0.04206 0.41637 3.31126
37 1CKM GTP 0.0196 0.40454 3.31126
38 3M3R BCD 0.0365 0.40062 3.31126
39 3R51 MMA 0.006358 0.48773 3.97351
40 1QO0 BMD 0.01464 0.4486 3.97351
41 1XE7 GUN 0.037 0.44407 3.97351
42 2NVK NAP 0.01748 0.43494 3.97351
43 2NCD ADP 0.04259 0.4202 3.97351
44 1P1M MET 0.005564 0.41982 3.97351
45 1SQ5 PAU 0.04062 0.41711 3.97351
46 1CTU ZEB 0.02875 0.40351 3.97351
47 2WMO GTP 0.04404 0.40155 3.97351
48 1W3R PYR 0.01194 0.46521 4.63576
49 3TFC PEP 0.01322 0.44082 4.63576
50 2GSQ GBI 0.001862 0.43772 4.63576
51 1XX4 BAM 0.02776 0.42733 4.63576
52 2ZJF BSU 0.02367 0.4205 4.63576
53 4J7H TRH 0.01063 0.41505 4.63576
54 2R5T ANP 0.01539 0.40585 4.63576
55 2YLD CMO 0.001797 0.4952 4.72441
56 3F8C HT1 0.002787 0.4792 4.7619
57 1Q11 TYE 0.04999 0.41268 4.83871
58 1SJW NGV 0.008503 0.42899 4.86111
59 3S9K CIT 0.005377 0.52926 5.08475
60 5OCA 9QZ 0.0007004 0.5727 5.29801
61 1TV5 N8E 0.03524 0.45801 5.29801
62 1KTC NGA 0.01341 0.44051 5.29801
63 1RZM E4P 0.02968 0.43786 5.29801
64 3I51 6PL 0.001779 0.42879 5.29801
65 1MZV AMP 0.02297 0.4211 5.29801
66 3DER ALA LYS 0.008729 0.41537 5.29801
67 3I51 45C 0.02744 0.41396 5.29801
68 1UF5 CDT 0.04331 0.40838 5.29801
69 3BY8 MLT 0.04749 0.4269 5.6338
70 4PTZ FMN 0.01393 0.41659 5.75916
71 2WCI GSH 0.03369 0.42534 5.92593
72 1Z44 NPO 0.00642 0.50542 5.96026
73 3TKA CTN 0.01787 0.46032 5.96026
74 3I0O SMI 0.01194 0.44786 5.96026
75 1ZZ7 S0H 0.01107 0.44454 5.96026
76 4KCT PYR 0.01422 0.43482 5.96026
77 3KJQ B94 0.02274 0.41762 5.96026
78 4Q0A 4OA 0.01301 0.41462 5.96026
79 4Q0A GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 0.01466 0.41252 5.96026
80 1L8N GCW 0.01128 0.40551 5.96026
81 1Z48 FMN 0.03828 0.4012 5.96026
82 4B9E FAH 0.004899 0.47937 6.62252
83 1T10 F6P 0.003882 0.47207 6.62252
84 2XSU PIE 0.0004473 0.44327 6.62252
85 1V6A TRE 0.03568 0.42408 6.62252
86 3O2K QRP 0.02959 0.41603 6.62252
87 4L7I SAM 0.02666 0.40488 6.62252
88 2V5E SCR 0.001954 0.52634 6.93069
89 4RW3 TDA 0.02844 0.45523 7.28477
90 2XDQ MGX 0.02694 0.452 7.28477
91 1GJW GLC 0.03269 0.43561 7.28477
92 1ZJ6 G3D 0.01301 0.42845 7.28477
93 3A1I UNU 0.03823 0.41089 7.28477
94 1I2L DCS 0.02325 0.40159 7.28477
95 1SS4 GSH 0.001171 0.55485 7.94702
96 1SS4 CIT 0.00248 0.48361 7.94702
97 1V7R CIT 0.01583 0.47272 7.94702
98 3F81 STT 0.01891 0.46079 7.94702
99 3MD0 GDP 0.00572 0.45337 7.94702
100 3GJB AKG 0.02092 0.42692 7.94702
101 2Q37 3AL 0.03633 0.42368 7.94702
102 3ZPG 5GP 0.02017 0.45919 8.60927
103 1H0C AOA 0.02908 0.43834 8.60927
104 1QDS PGA 0.01158 0.43472 8.60927
105 3P7I P7I 0.02903 0.42424 8.60927
106 1ECM TSA 0.009621 0.44279 9.17431
107 2QV7 ADP 0.02664 0.40793 9.27152
108 1T0S BML 0.001015 0.52372 9.93377
109 3QV9 QV7 0.01245 0.44695 9.93377
110 4WVH ASP HIS ASP ALA HIS ALA 0.0419 0.41262 9.93377
111 4RJK PYR 0.008329 0.49845 10.596
112 4K30 NLG 0.006141 0.45688 10.596
113 1VE3 SAM 0.009403 0.42032 10.596
114 3H9E NAD 0.002978 0.41804 10.596
115 3KMZ EQO 0.005421 0.40902 10.596
116 4KOA NDP 0.02717 0.40454 10.596
117 3HAZ FAD 0.004641 0.40147 10.596
118 1O9U ADZ 0.001468 0.5238 11.2583
119 3CF6 SP1 0.0123 0.4222 11.2583
120 2PP3 LGT 0.01642 0.42031 11.2583
121 4BG1 OGA 0.008543 0.41573 11.2583
122 4BG1 IVL 0.008543 0.41573 11.2583
123 1BTN I3P 0.01863 0.4826 11.3208
124 3PLN U5P 0.01523 0.43784 11.9205
125 2ZJ5 ADP 0.04913 0.41706 11.9205
126 2ZWS PLM 0.02016 0.47471 13.9073
127 2EB5 OXL 0.01741 0.44473 14.5695
128 1B4P GPS 0.0168 0.41013 14.5695
129 2F2U M77 0.03117 0.41499 15.2318
130 1TUV VK3 0.007152 0.48483 15.7895
131 1A27 EST 0.02102 0.41232 15.894
132 2Q8H TF4 0.01492 0.46666 16.5563
133 3CH5 GDP 0.04877 0.40269 16.5563
134 2E1A MSE 0.02666 0.42195 18.6667
135 2ASF CIT 0.01042 0.40679 19.8675
136 1EYE PMM 0.04146 0.40589 20.5298
137 4M51 BEZ 0.03574 0.43896 22.5166
138 4L1F COS 0.002164 0.43198 23.8411
139 1EB9 HBA 0.01542 0.42516 26.4901
Pocket No.: 2; Query (leader) PDB : 3IIS; Ligand: PID; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3iis.bio1) has 67 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3IIS; Ligand: PID; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3iis.bio1) has 67 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3IIS; Ligand: PID; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3iis.bio1) has 67 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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