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Receptor
PDB id Resolution Class Description Source Keywords
2V68 2.3 Å EC: 4.1.1.39 CRYSTAL STRUCTURE OF CHLAMYDOMONAS REINHARDTII RUBISCO WITH SUBUNIT MUTATIONS V331A, T342I CHLAMYDOMONAS REINHARDTII LARGE SUBUNIT LOOP 6 MUTATION CO2/O2 SPECIFICITY CARBON DIFIXATION PHOTOSYNTHESIS TRANSIT PEPTIDE PHOTORESPIRATIONBINDING HYDROXYLATION OXIDOREDUCTASE METHYLATION CHLOROCALVIN CYCLE MONOOXYGENASE LYASE RUBISCO PLASTID MAGNEACETYLATION
Ref.: STRUCTURAL ANALYSIS OF ALTERED LARGE-SUBUNIT LOOP-6-CARBOXY-TERMINUS INTERACTIONS THAT INFLUENCE CATALYTIC EFFICIENCY AND CO2 O2 SPECIFICITY OF RIBULOSE-1,5-BISPHOSPHATE CARBOXYLASE OXYGENASE BIOCHEMISTRY V. 46 11080 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CAP A:477;
B:477;
C:477;
D:477;
E:477;
F:477;
G:477;
H:477;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
356.115 C6 H14 O13 P2 C([C@...
EDO A:1477;
A:1481;
A:1482;
A:1483;
A:1484;
B:1477;
B:1479;
B:1480;
B:1481;
C:1477;
C:1478;
C:1480;
C:1481;
C:1482;
D:1477;
D:1478;
D:1480;
D:1481;
E:1476;
E:1478;
E:1480;
F:1479;
F:1480;
F:1481;
F:1482;
F:1483;
F:1484;
G:1476;
G:1478;
G:1480;
H:1476;
H:1478;
H:1480;
H:1481;
H:1482;
H:1483;
I:1141;
I:1142;
J:1141;
J:1142;
K:1141;
K:1142;
L:1141;
M:1141;
N:1141;
N:1142;
O:1141;
O:1142;
P:1141;
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;
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;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
MG A:476;
B:476;
C:476;
D:476;
E:476;
F:476;
G:476;
H: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;
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
2V68 2.3 Å EC: 4.1.1.39 CRYSTAL STRUCTURE OF CHLAMYDOMONAS REINHARDTII RUBISCO WITH SUBUNIT MUTATIONS V331A, T342I CHLAMYDOMONAS REINHARDTII LARGE SUBUNIT LOOP 6 MUTATION CO2/O2 SPECIFICITY CARBON DIFIXATION PHOTOSYNTHESIS TRANSIT PEPTIDE PHOTORESPIRATIONBINDING HYDROXYLATION OXIDOREDUCTASE METHYLATION CHLOROCALVIN CYCLE MONOOXYGENASE LYASE RUBISCO PLASTID MAGNEACETYLATION
Ref.: STRUCTURAL ANALYSIS OF ALTERED LARGE-SUBUNIT LOOP-6-CARBOXY-TERMINUS INTERACTIONS THAT INFLUENCE CATALYTIC EFFICIENCY AND CO2 O2 SPECIFICITY OF RIBULOSE-1,5-BISPHOSPHATE CARBOXYLASE OXYGENASE BIOCHEMISTRY V. 46 11080 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 2V68 - 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 2V68 - 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 2V68 - 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 : 2V68; Ligand: CAP; Similar sites found with APoc: 121
This union binding pocket(no: 1) in the query (biounit: 2v68.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 2C6Q NDP 2.85714
2 2HSA FMN 2.85714
3 2C6Q IMP 2.85714
4 2VSS V55 2.89855
5 2VSU V55 2.90909
6 1SW0 PGA 3.22581
7 5AHN IMP 3.36842
8 5A1S FLC 3.57143
9 4PTN GXV 3.57143
10 1OVD ORO 3.57143
11 1OVD FMN 3.57143
12 1UUO FMN 3.57143
13 1UUO BRF 3.57143
14 1UUO ORO 3.57143
15 3WIR BGC 3.57143
16 4M00 SUC 3.57143
17 2ZZV LAC 3.60111
18 2Q3O FMN 3.83632
19 3KIH GDL 4.12371
20 1W3T 3GR 4.28571
21 2Q8Z NUP 4.28571
22 3MI2 PFU 4.28571
23 4ORM 2V6 4.28571
24 4ORM FMN 4.28571
25 4ORM ORO 4.28571
26 4HKP 16B 4.28571
27 4HKP TKW 4.28571
28 1TV5 FMN 4.28571
29 4LOC OXM 4.28571
30 1VBH PEP 4.28571
31 2CJA ATP 4.42105
32 2YPI PGA 4.45344
33 3VKC FPQ 4.54545
34 2QCD U5P 4.61538
35 1VKF CIT 4.78723
36 4YMZ 13P 5
37 5EYW PGA 5
38 2FLI DX5 5
39 4NRT 2NG 5
40 4I9A NCN 5
41 2Z6I FMN 5.12048
42 3O75 F1X 5.14706
43 3CTL S6P 5.19481
44 3TAO PGH 5.24345
45 1OYB FMN 5.25
46 1OYB HBA 5.25
47 4IXH IMP 5.54017
48 4IGH ORO 5.64516
49 4IGH 1EA 5.64516
50 4IGH FMN 5.64516
51 1EIX BMQ 5.68421
52 6BVE PGA 5.71429
53 3Q9T FAY 5.71429
54 1M5W DXP 5.76132
55 2BTM PGA 5.95238
56 1TRD PGH 6
57 3AI3 SOE 6.08365
58 3BW2 FMN 6.10526
59 1X1Z BMP 6.34921
60 5A5W GUO 6.42857
61 4BI7 PGA 6.42857
62 3OVR 5SP 6.42857
63 1DQX BMP 6.42857
64 1GTE FMN 6.42857
65 1GTE IUR 6.42857
66 1OFD FMN 6.42857
67 1QDS PGA 7.14286
68 2F6U CIT 7.14286
69 4EWN 0VR 7.14286
70 2NU8 COA 7.14286
71 1W8S FBP 7.14286
72 4UTU LRY 7.42358
73 4UTW RFW 7.42358
74 4AF0 IMP 7.85714
75 3B0P FMN 7.85714
76 5LIA 6XN 7.85714
77 4TMC FMN 7.85714
78 3S5W ONH 7.85714
79 6BKA FMN 7.85714
80 4Q4K FMN 7.85714
81 1Q6O LG6 7.87037
82 5XFV FMN 8.08383
83 2Y88 2ER 8.19672
84 1PVN MZP 8.57143
85 3EXS 5RP 8.57143
86 1OX5 1PR 8.57143
87 1ME8 RVP 8.57143
88 2BPM 529 9.0566
89 4CFU 2WC 9.16031
90 4Z0G 5GP 9.28571
91 3CEV ARG 9.28571
92 4YNU LGC 10
93 5DYO FLU 10.5505
94 2TPS TPS 10.5727
95 5TCI MLI 10.7143
96 2NSX IFM 10.7143
97 1LYX PGA 10.7143
98 5I34 GDP 10.7143
99 5W75 SUC 11.4286
100 3MJY FMN 11.4286
101 3MJY IJZ 11.4286
102 3C3N FMN 11.4286
103 4JEJ 1GP 11.4754
104 1LBF 137 13.7652
105 2BLE 5GP 14.2857
106 3GLC R5P 14.2857
107 5J5R IMP 15
108 5J5R 6G1 15
109 4UWH JXM 15
110 4Z87 5GP 15.3684
111 5FYR INS 15.7143
112 3QH2 3NM 16.4286
113 1EP2 ORO 16.4286
114 1EP2 FMN 16.4286
115 4WZH FMN 17.1429
116 2Z6J FMN 17.8571
117 1JCM 137 17.8571
118 4UP4 GAL NAG 19.2857
119 2D3S TNR 20
120 4NAE 1GP 21.4286
121 2OEM 1AE 40.9201
Pocket No.: 2; Query (leader) PDB : 2V68; Ligand: CAP; Similar sites found with APoc: 12
This union binding pocket(no: 2) in the query (biounit: 2v68.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 4M52 FAD 5.71429
2 1FDJ 13P 7.98898
3 3T7V MD0 8.57143
4 4BCN T9N 9.16031
5 3T64 DU3 9.28571
6 2FFC U5P 9.28571
7 4TQK NAG 10
8 2RI1 GLP 10.7143
9 2O66 FLC 11.1111
10 1CX9 NHP 12.8571
11 5DZT AMP 12.8571
12 1ICP FMN 22.1429
Pocket No.: 3; Query (leader) PDB : 2V68; Ligand: CAP; Similar sites found with APoc: 9
This union binding pocket(no: 3) in the query (biounit: 2v68.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 1W7F ICT 2.9316
2 5LXB 7A9 6.42857
3 4O08 PO6 6.42857
4 5IDB BMA 6.42857
5 4XJ6 GH3 7.85714
6 2FAH MLA 8.57143
7 2WZF BGC 10
8 5HWV MBN 13.0769
9 1WZ1 DNS 15.0442
Pocket No.: 4; Query (leader) PDB : 2V68; Ligand: CAP; Similar sites found with APoc: 4
This union binding pocket(no: 4) in the query (biounit: 2v68.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 3BY9 SIN 3.57143
2 1ZGS XMM 7.82998
3 4YNU FAD 10
4 2PEL LBT 13.5593
Pocket No.: 5; Query (leader) PDB : 2V68; Ligand: CAP; Similar sites found with APoc: 10
This union binding pocket(no: 5) in the query (biounit: 2v68.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 1V08 NTZ 2.85714
2 2WR1 SIA GAL NAG 3.57143
3 5BJX UDP 5
4 5BJX NAD 5
5 2XG5 EC5 5.78035
6 2XG5 EC2 5.78035
7 2GJN NIS 9.28571
8 2GJN FMN 9.28571
9 5TVM PUT 9.41177
10 4BXF AKG 31.5789
Pocket No.: 6; Query (leader) PDB : 2V68; Ligand: CAP; Similar sites found with APoc: 4
This union binding pocket(no: 6) in the query (biounit: 2v68.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 3OPT AKG 3.57143
2 3BJE URA 6.30372
3 2EXK XYS XYS 7.85714
4 2O1C PPV 9.33333
Pocket No.: 7; Query (leader) PDB : 2V68; Ligand: CAP; Similar sites found with APoc: 2
This union binding pocket(no: 7) in the query (biounit: 2v68.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 3VSV XYP 5.71429
2 1FEC FAD 7.14286
Pocket No.: 8; Query (leader) PDB : 2V68; Ligand: CAP; Similar sites found with APoc: 1
This union binding pocket(no: 8) in the query (biounit: 2v68.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 2UXR ICT 7.14286
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