Receptor
PDB id Resolution Class Description Source Keywords
1IR2 1.84 Å EC: 4.1.1.39 CRYSTAL STRUCTURE OF ACTIVATED RIBULOSE-1,5-BISPHOSPHATE CARBOXYLASE/OXYGENASE (RUBISCO) FROM GREEN ALGA, CHLAMYDOMOR EINHARDTII COMPLEXED WITH 2-CARBOXYARABINITOL-1,5-BISPHOSPCA BP) CHLAMYDOMONAS REINHARDTII N-METHYLMETHIONINE 4-HYDROXYPROLINE S-METHYLCYSTEINE ALPHBARREL LYASE
Ref.: CRYSTAL STRUCTURE OF ACTIVATED RIBULOSE-1,5-BISPHOS CARBOXYLASE/OXYGENASE FROM GREEN ALGA CHLAMYDOMONAS REINHARDTII COMPLEXED WITH 2-CARBOXYARABINITOL-1,5-BISPHOSPHATE. J.MOL.BIOL. V. 316 679 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CAP A:501;
B:501;
C:501;
D:501;
E:501;
F:501;
G:501;
H:501;
S:501;
T:501;
U:501;
V:501;
W:501;
X:501;
Y:501;
Z:501;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
356.115 C6 H14 O13 P2 C([C@...
GOL A:605;
A:613;
B:606;
B:610;
B:614;
C:607;
C:615;
D:608;
D:616;
E:601;
E:609;
E:620;
F:602;
F:617;
G:603;
G:611;
G:618;
H:604;
H:612;
H:619;
S:605;
S:609;
S:613;
T:606;
T:614;
U:607;
U:615;
V:608;
V:616;
W:601;
W:620;
X:602;
X:610;
X:617;
Y:603;
Y:611;
Y:618;
Z:604;
Z:612;
Z:619;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MG A:476;
B:476;
C:476;
D:476;
E:476;
F:476;
G:476;
H:476;
S:476;
T:476;
U:476;
V:476;
W:476;
X:476;
Y:476;
Z:476;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1IR2 1.84 Å EC: 4.1.1.39 CRYSTAL STRUCTURE OF ACTIVATED RIBULOSE-1,5-BISPHOSPHATE CARBOXYLASE/OXYGENASE (RUBISCO) FROM GREEN ALGA, CHLAMYDOMOR EINHARDTII COMPLEXED WITH 2-CARBOXYARABINITOL-1,5-BISPHOSPCA BP) CHLAMYDOMONAS REINHARDTII N-METHYLMETHIONINE 4-HYDROXYPROLINE S-METHYLCYSTEINE ALPHBARREL LYASE
Ref.: CRYSTAL STRUCTURE OF ACTIVATED RIBULOSE-1,5-BISPHOS CARBOXYLASE/OXYGENASE FROM GREEN ALGA CHLAMYDOMONAS REINHARDTII COMPLEXED WITH 2-CARBOXYARABINITOL-1,5-BISPHOSPHATE. J.MOL.BIOL. V. 316 679 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 1IR2 - CAP C6 H14 O13 P2 C([C@H]([C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 1IR2 - CAP C6 H14 O13 P2 C([C@H]([C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 1IR2 - CAP C6 H14 O13 P2 C([C@H]([C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CAP; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 CAP 1 1
2 XDP 0.543478 0.945946
3 DER 0.434783 0.918919
4 DEZ 0.434783 0.918919
5 4TP 0.416667 0.772727
6 PA5 0.408163 0.918919
7 R10 0.408163 0.918919
8 HG3 0.404762 0.810811
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1IR2; Ligand: CAP; Similar sites found: 53
This union binding pocket(no: 1) in the query (biounit: 1ir2.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2Z6I FMN 0.005871 0.40229 2.71084
2 2C6Q NDP 0.005863 0.42596 2.85714
3 2C6Q IMP 0.002251 0.42322 2.85714
4 2HSA FMN 0.00513 0.41388 2.85714
5 5A5W GUO 0.003776 0.43162 3.16206
6 1OVD ORO 0.005226 0.42209 3.57143
7 1OVD FMN 0.005226 0.42209 3.57143
8 1UUO ORO 0.01485 0.41558 3.57143
9 1UUO BRF 0.01592 0.41558 3.57143
10 2Q3O FMN 0.005686 0.40288 3.83632
11 2Q8Z NUP 0.001668 0.42702 4.28571
12 4ORM ORO 0.01815 0.41679 4.28571
13 4ORM FMN 0.01815 0.41679 4.28571
14 4ORM 2V6 0.01815 0.41679 4.28571
15 4HKP TKW 0.002831 0.4156 4.28571
16 1TV5 FMN 0.005129 0.41106 4.28571
17 4HKP 16B 0.002193 0.41042 4.28571
18 4UTW RFW 0.002778 0.42912 5
19 5EYW PGA 0.0103 0.41915 5
20 3CTL S6P 0.004839 0.40097 5.19481
21 4IXH IMP 0.00361 0.41287 5.54017
22 4IGH 1EA 0.01765 0.41799 5.64516
23 4IGH FMN 0.01765 0.41799 5.64516
24 4IGH ORO 0.01765 0.41799 5.64516
25 1M5W DXP 0.008465 0.41055 5.76132
26 2XG5 EC2 0.02599 0.40545 5.78035
27 1OX5 1PR 0.007474 0.40544 5.89474
28 3BW2 FMN 0.01019 0.40223 6.10526
29 3OVR 5SP 0.0008988 0.43651 6.42857
30 1DQX BMP 0.002777 0.41414 6.42857
31 3Q9T FAY 0.01292 0.40659 6.42857
32 2FLI DX5 0.005065 0.40325 7.14286
33 2ZV2 609 0.01992 0.40075 7.14286
34 3VKC FPQ 0.004535 0.40525 8.04196
35 3EXS 5RP 0.0004553 0.40404 8.57143
36 4AF0 IMP 0.001258 0.43038 9.28571
37 1PVN MZP 0.0111 0.41053 9.28571
38 1EP2 ORO 0.01172 0.40429 9.6463
39 1Q6O LG6 0.0005607 0.42583 10
40 3MI2 PFU 0.01196 0.41614 10
41 2QCD U5P 0.002163 0.41472 10
42 2TPS TPS 0.005739 0.40749 10.5727
43 2Y88 2ER 0.005226 0.42097 10.6557
44 3MJY IJZ 0.009518 0.40598 11.4286
45 3MJY FMN 0.009518 0.40598 11.4286
46 2B4G FMN 0.007694 0.4035 11.4286
47 4JEJ 1GP 0.000581 0.40718 11.4754
48 4YMZ 13P 0.008332 0.42378 12.8571
49 1GTE FMN 0.008998 0.40938 12.8571
50 1LBF 137 0.008698 0.40121 13.7652
51 2BLE 5GP 0.003951 0.41738 14.2857
52 2Z6J FMN 0.007502 0.40672 18.5714
53 2OEM 1AE 0.000002802 0.49841 40.9201
Pocket No.: 2; Query (leader) PDB : 1IR2; Ligand: CAP; 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: 1ir2.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1IR2; Ligand: CAP; 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: 1ir2.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1IR2; Ligand: CAP; 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: 1ir2.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1IR2; Ligand: CAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1ir2.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1IR2; Ligand: CAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1ir2.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1IR2; Ligand: CAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 1ir2.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1IR2; Ligand: CAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 1ir2.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 1IR2; Ligand: CAP; Similar sites found: 1
This union binding pocket(no: 9) in the query (biounit: 1ir2.bio2) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5TVM PUT 0.02715 0.4021 9.41177
Pocket No.: 10; Query (leader) PDB : 1IR2; Ligand: CAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 1ir2.bio2) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 1IR2; Ligand: CAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 1ir2.bio2) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 1IR2; Ligand: CAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 1ir2.bio2) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 1IR2; Ligand: CAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 1ir2.bio2) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 1IR2; Ligand: CAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 1ir2.bio2) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 1IR2; Ligand: CAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 1ir2.bio2) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 1IR2; Ligand: CAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 16) in the query (biounit: 1ir2.bio2) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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