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Receptor
PDB id Resolution Class Description Source Keywords
2V6A 1.5 Å EC: 4.1.1.39 CRYSTAL STRUCTURE OF CHLAMYDOMONAS REINHARDTII RUBISCO WITH LARGE-SUBUNIT MUTATIONS V331A, G344S CHLAMYDOMONAS REINHARDTII LARGE SUBUNIT LOOP 6 MUTATION CO2/O2 SPECIFICITY CARBON DIOXIDE FIXATION PHOTOSYNTHESIS TRANSIT PEPTIDE PHOTORESPIRATION METAL-BINDING HYDROXYLATION OXIDOREDUCTASE METHYLATION CHLOROPLAST CALVIN CYCLE MONOOXYGENASE LYASE RUBISCO PLASTID MAGNESIUM ACETYLATION
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:1477;
B:1477;
C:1477;
D:1477;
E:1477;
F:1477;
G:1477;
H:1477;
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:1478;
A:1479;
A:1480;
A:1481;
A:1482;
A:1483;
A:1484;
B:1478;
B:1479;
B:1480;
B:1481;
B:1482;
C:1478;
C:1479;
C:1480;
C:1481;
C:1482;
C:1483;
D:1478;
D:1479;
D:1480;
D:1481;
D:1482;
E:1478;
E:1479;
E:1480;
E:1481;
F:1478;
F:1479;
F:1480;
F:1481;
F:1482;
F:1483;
G:1478;
G:1479;
G:1480;
G:1481;
G:1482;
H:1478;
H:1479;
H:1480;
H:1481;
H:1482;
I:1141;
I:1142;
J:1141;
J:1142;
K:1141;
K:1142;
L:1141;
L:1142;
M:1141;
M:1142;
N:1141;
N:1142;
O:1141;
O:1142;
P:1141;
P:1142;
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;
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;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
MG A:1476;
B:1476;
C:1476;
D:1476;
E:1476;
F:1476;
G:1476;
H:1476;
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
2V6A 1.5 Å EC: 4.1.1.39 CRYSTAL STRUCTURE OF CHLAMYDOMONAS REINHARDTII RUBISCO WITH LARGE-SUBUNIT MUTATIONS V331A, G344S CHLAMYDOMONAS REINHARDTII LARGE SUBUNIT LOOP 6 MUTATION CO2/O2 SPECIFICITY CARBON DIOXIDE FIXATION PHOTOSYNTHESIS TRANSIT PEPTIDE PHOTORESPIRATION METAL-BINDING HYDROXYLATION OXIDOREDUCTASE METHYLATION CHLOROPLAST CALVIN CYCLE MONOOXYGENASE LYASE RUBISCO PLASTID MAGNESIUM ACETYLATION
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 2V6A - 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 2V6A - 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 2V6A - 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 : 2V6A; Ligand: CAP; Similar sites found with APoc: 117
This union binding pocket(no: 1) in the query (biounit: 2v6a.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 1OVD FMN 3.57143
10 1OVD ORO 3.57143
11 4PTN GXV 3.57143
12 3WIR BGC 3.57143
13 2Q3O FMN 3.83632
14 1W3T 3GR 4.28571
15 4HKP 16B 4.28571
16 4ORM 2V6 4.28571
17 4ORM FMN 4.28571
18 4ORM ORO 4.28571
19 3MI2 PFU 4.28571
20 1TV5 FMN 4.28571
21 2Q8Z NUP 4.28571
22 4LOC OXM 4.28571
23 4HKP TKW 4.28571
24 2YPI PGA 4.45344
25 3VKC FPQ 4.54545
26 2QCD U5P 4.61538
27 1VKF CIT 4.78723
28 4UTW RFW 5
29 4YMZ 13P 5
30 5EYW PGA 5
31 2FLI DX5 5
32 4I9A NCN 5
33 2Z6I FMN 5.12048
34 3O75 F1X 5.14706
35 3CTL S6P 5.19481
36 3TAO PGH 5.24345
37 4IXH IMP 5.54017
38 4IGH ORO 5.64516
39 4IGH 1EA 5.64516
40 4IGH FMN 5.64516
41 1EIX BMQ 5.68421
42 3VSV XYP 5.71429
43 6BVE PGA 5.71429
44 3Q9T FAY 5.71429
45 1M5W DXP 5.76132
46 2BTM PGA 5.95238
47 1TRD PGH 6
48 3AI3 SOE 6.08365
49 3BW2 FMN 6.10526
50 4UTU LRY 6.42857
51 4BI7 PGA 6.42857
52 3OVR 5SP 6.42857
53 1GTE IUR 6.42857
54 1GTE FMN 6.42857
55 5A5W GUO 6.42857
56 1DQX BMP 6.42857
57 1OFD FMN 6.42857
58 1QDS PGA 7.14286
59 2F6U CIT 7.14286
60 4EWN 0VR 7.14286
61 1MLD CIT 7.14286
62 2NU8 COA 7.14286
63 1BZL FAD 7.14286
64 1W8S FBP 7.14286
65 3B0P FMN 7.85714
66 4AF0 IMP 7.85714
67 3S5W ONH 7.85714
68 4TMC FMN 7.85714
69 6BKA FMN 7.85714
70 4Q4K FMN 7.85714
71 1Q6O LG6 7.87037
72 5XFV FMN 8.08383
73 2Y88 2ER 8.19672
74 3EXS 5RP 8.57143
75 1PVN MZP 8.57143
76 1OX5 1PR 8.57143
77 4CFU 2WC 9.16031
78 3CEV ARG 9.28571
79 3T64 DU3 9.28571
80 2FFC U5P 9.28571
81 5TVM PUT 9.41177
82 4Z0G 5GP 9.4431
83 2WZF BGC 10
84 5DYO FLU 10.5505
85 2TPS TPS 10.5727
86 5TCI MLI 10.7143
87 2NSX IFM 10.7143
88 1LYX PGA 10.7143
89 5I34 GDP 10.7143
90 5W75 SUC 11.4286
91 3MJY IJZ 11.4286
92 3MJY FMN 11.4286
93 3C3N FMN 11.4286
94 4JEJ 1GP 11.4754
95 1CX9 NHP 12.8571
96 2AK3 AMP 12.8571
97 2PEL LBT 13.5593
98 1LBF 137 13.7652
99 2BLE 5GP 14.2857
100 3GLC R5P 14.2857
101 5J5R IMP 15
102 5J5R 6G1 15
103 4UWH JXM 15
104 4Z87 5GP 15.3684
105 5FYR INS 15.7143
106 3QH2 3NM 16.4286
107 1EP2 ORO 16.4286
108 1EP2 FMN 16.4286
109 4WZH FMN 17.1429
110 2Z6J FMN 17.8571
111 1JCM 137 17.8571
112 4UP4 GAL NAG 19.2857
113 2D3S TNR 20
114 4NAE 1GP 21.4286
115 1ICP FMN 22.1429
116 4BXF AKG 31.5789
117 2OEM 1AE 40.678
Pocket No.: 2; Query (leader) PDB : 2V6A; Ligand: CAP; Similar sites found with APoc: 24
This union binding pocket(no: 2) in the query (biounit: 2v6a.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 1UUO FMN 3.57143
2 1UUO BRF 3.57143
3 1UUO ORO 3.57143
4 2ZZV LAC 3.57143
5 3OPT AKG 3.57143
6 2CJA ATP 4.63158
7 4NRT 2NG 5
8 2A8X FAD 5
9 1OYB HBA 5.25
10 1OYB FMN 5.25
11 1VBH PEP 5.47368
12 5H41 IFM 5.71429
13 2XG5 EC5 5.78035
14 2XG5 EC2 5.78035
15 3BJE URA 6.30372
16 1X1Z BMP 6.34921
17 5HC0 NPO 7.67123
18 5LIA 6XN 7.85714
19 1FDJ 13P 7.98898
20 1RJW ETF 8.57143
21 2BPM 529 9.0566
22 2RI1 GLP 10.7143
23 5HWV MBN 13.0769
24 5O2Z FLC 16.8067
Pocket No.: 3; Query (leader) PDB : 2V6A; Ligand: CAP; Similar sites found with APoc: 6
This union binding pocket(no: 3) in the query (biounit: 2v6a.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 2Q89 6CS 3.57143
2 4M52 FAD 5.71429
3 1O4T OXL 6.76692
4 2VPY PCI 10
5 4TQK NAG 10
6 2O66 FLC 11.1111
Pocket No.: 4; Query (leader) PDB : 2V6A; Ligand: CAP; Similar sites found with APoc: 3
This union binding pocket(no: 4) in the query (biounit: 2v6a.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 2EXK XYS XYS 7.85714
2 2GGH NLQ 7.85714
3 1ME8 RVP 8.57143
Pocket No.: 5; Query (leader) PDB : 2V6A; Ligand: CAP; Similar sites found with APoc: 5
This union binding pocket(no: 5) in the query (biounit: 2v6a.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 1W7F ICT 2.9316
2 5BJX NAD 5
3 5BJX UDP 5
4 5IDB BMA 6.42857
5 1FEC FAD 7.14286
Pocket No.: 6; Query (leader) PDB : 2V6A; Ligand: CAP; Similar sites found with APoc: 5
This union binding pocket(no: 6) in the query (biounit: 2v6a.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 4M00 SUC 3.57143
2 5LXB 7A9 6.42857
3 3T7V MD0 8.57143
4 2IRY DGT 9.28571
5 4YNU LGC 10
Pocket No.: 7; Query (leader) PDB : 2V6A; Ligand: CAP; Similar sites found with APoc: 1
This union binding pocket(no: 7) in the query (biounit: 2v6a.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 3L6R MLI 9.28571
Pocket No.: 8; Query (leader) PDB : 2V6A; Ligand: CAP; Similar sites found with APoc: 2
This union binding pocket(no: 8) in the query (biounit: 2v6a.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 2J5B TYE 5.74713
2 4L9Z OXL 7.37463
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