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Receptor
PDB id Resolution Class Description Source Keywords
2HVW 1.67 Å EC: 3.5.4.12 CRYSTAL STRUCTURE OF DCMP DEAMINASE FROM STREPTOCOCCUS MUTAN STREPTOCOCCUS MUTANS 3-LAYER (ALPHA-BETA)-SANDWICH PROTEIN-LIAND COMPLEX HYDROL
Ref.: CRYSTAL STRUCTURES OF STREPTOCOCCUS MUTANS 2'-DEOXYCYTIDYLATE DEAMINASE AND ITS COMPLEX WITH S ANALOG AND ALLOSTERIC REGULATOR DCTP X MG2+. J.MOL.BIOL. V. 377 220 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DCP B:1202;
C:1203;
Valid;
Valid;
none;
none;
submit data
467.157 C9 H16 N3 O13 P3 C1[C@...
DDN A:1301;
B:1302;
C:1303;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
310.198 C9 H15 N2 O8 P C1[C@...
DIO A:1401;
B:1402;
C:1403;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
88.105 C4 H8 O2 C1COC...
MG B:1102;
A:1101;
C:1103;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
CDP A:1201;
Valid;
none;
submit data
403.176 C9 H15 N3 O11 P2 C1=CN...
ZN A:1001;
A:1002;
B:1003;
B:1004;
C:1005;
C:1006;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2HVW 1.67 Å EC: 3.5.4.12 CRYSTAL STRUCTURE OF DCMP DEAMINASE FROM STREPTOCOCCUS MUTAN STREPTOCOCCUS MUTANS 3-LAYER (ALPHA-BETA)-SANDWICH PROTEIN-LIAND COMPLEX HYDROL
Ref.: CRYSTAL STRUCTURES OF STREPTOCOCCUS MUTANS 2'-DEOXYCYTIDYLATE DEAMINASE AND ITS COMPLEX WITH S ANALOG AND ALLOSTERIC REGULATOR DCTP X MG2+. J.MOL.BIOL. V. 377 220 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2HVW - DDN C9 H15 N2 O8 P C1[C@@H]([....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2HVW - DDN C9 H15 N2 O8 P C1[C@@H]([....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2HVW - DDN C9 H15 N2 O8 P C1[C@@H]([....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DCP; Similar ligands found: 47
No: Ligand ECFP6 Tc MDL keys Tc
1 DCP 1 1
2 YYY 0.884058 1
3 DC 0.760563 0.985714
4 DCM 0.760563 0.985714
5 DUT 0.609756 0.929577
6 CTP 0.609756 0.90411
7 HF4 0.609756 0.90411
8 LDC 0.605634 0.847222
9 DCZ 0.605634 0.847222
10 GTF 0.581395 0.891892
11 TTP 0.55814 0.891892
12 6U4 0.554348 0.921053
13 CDP 0.535714 0.90411
14 DUD 0.52381 0.929577
15 GCQ 0.511364 0.891892
16 8DG 0.505263 0.875
17 TYD 0.477273 0.891892
18 CPA 0.468468 0.85
19 DOC 0.464286 0.957747
20 7XL 0.462366 0.88
21 CXY 0.46 0.88
22 CGP 0.452174 0.841463
23 C2G 0.447917 0.891892
24 CAR 0.447059 0.890411
25 C 0.447059 0.890411
26 C5P 0.447059 0.890411
27 CDM 0.44 0.858974
28 C5G 0.435644 0.855263
29 8GD 0.43299 0.875
30 DTP 0.43299 0.831169
31 DU 0.430233 0.915493
32 UMP 0.430233 0.915493
33 CDC 0.43 0.77381
34 DGT 0.43 0.848101
35 DG DC 0.416 0.851852
36 TLO 0.415842 0.844156
37 DUP 0.414894 0.90411
38 UTP 0.413043 0.849315
39 0FX 0.411215 0.835443
40 8DD 0.41 0.835443
41 HF7 0.405941 0.820513
42 T3Q 0.40566 0.835443
43 T3F 0.40566 0.835443
44 C3P 0.402299 0.876712
45 C2P 0.402299 0.916667
46 DDN 0.402299 0.915493
47 DC DG 0.4 0.819277
Ligand no: 2; Ligand: DDN; Similar ligands found: 25
No: Ligand ECFP6 Tc MDL keys Tc
1 DDN 1 1
2 UMP 0.632353 1
3 DU 0.632353 1
4 5IU 0.561644 0.929577
5 UFP 0.555556 0.929577
6 5HU 0.547945 0.942857
7 TMP 0.547945 0.956522
8 BRU 0.547945 0.929577
9 DCM 0.527027 0.928571
10 DC 0.527027 0.928571
11 UC5 0.506494 0.970588
12 DUD 0.506494 0.985075
13 BVP 0.5 0.942857
14 DUT 0.481481 0.985075
15 DUP 0.47561 0.956522
16 DUN 0.475 0.956522
17 UMC 0.466667 0.941176
18 QBT 0.460526 0.927536
19 TYD 0.439024 0.942857
20 YYY 0.421687 0.915493
21 TTP 0.418605 0.942857
22 DUS 0.415584 0.853333
23 8OG 0.406977 0.835443
24 DCP 0.402299 0.915493
25 ZEB 0.4 0.771429
Ligand no: 3; Ligand: CDP; Similar ligands found: 91
No: Ligand ECFP6 Tc MDL keys Tc
1 CDP 1 1
2 CTP 0.895522 1
3 HF4 0.895522 1
4 CAR 0.787879 0.985507
5 C 0.787879 0.985507
6 C5P 0.787879 0.985507
7 7XL 0.77027 0.944444
8 C2G 0.74026 0.957747
9 CDC 0.725 0.82716
10 C5G 0.707317 0.944444
11 CDM 0.695122 0.894737
12 CXY 0.678571 0.944444
13 CTN 0.636364 0.857143
14 AR3 0.636364 0.857143
15 C C C C 0.623529 0.916667
16 1AA 0.619565 0.906667
17 C C 0.607143 0.929577
18 UDP 0.605263 0.942029
19 I5A 0.602941 0.816901
20 YYY 0.582278 0.90411
21 GCQ 0.560976 0.90411
22 C3P 0.56 0.942857
23 MCN 0.557692 0.819277
24 PMT 0.554455 0.85
25 91P 0.553398 0.851852
26 UTP 0.54321 0.942029
27 2AA 0.542857 0.693878
28 16B 0.538462 0.917808
29 CSV 0.536842 0.905405
30 CSQ 0.536842 0.905405
31 DCP 0.535714 0.90411
32 GTF 0.523256 0.90411
33 C2P 0.519481 0.957143
34 PCD 0.517857 0.781609
35 FN5 0.509434 0.871795
36 GPC 0.509091 0.819277
37 CSF 0.504587 0.871795
38 DKZ 0.5 0.746667
39 UNP 0.488372 0.915493
40 TKW 0.4875 0.971429
41 G C 0.481818 0.8375
42 5GW 0.477778 0.890411
43 5HM 0.47561 0.958333
44 A C A C 0.464912 0.835443
45 DC 0.463415 0.890411
46 DCM 0.463415 0.890411
47 U A C C 0.452174 0.846154
48 UPP 0.451613 0.888889
49 UDH 0.451613 0.844156
50 G8D 0.450549 0.907895
51 U 0.45 0.927536
52 U5P 0.45 0.927536
53 C5P SIA 0.447368 0.893333
54 URM 0.446809 0.876712
55 660 0.446809 0.876712
56 GDU 0.446809 0.888889
57 UFM 0.446809 0.888889
58 GUD 0.446809 0.888889
59 UPG 0.446809 0.888889
60 8OD 0.445652 0.855263
61 G G G C 0.444444 0.85
62 UPU 0.444444 0.887324
63 4GW 0.443299 0.866667
64 A G C C 0.440678 0.848101
65 DOC 0.439024 0.890411
66 M7G 0.43617 0.829268
67 UFG 0.43299 0.842105
68 UPF 0.43299 0.842105
69 U2F 0.43299 0.842105
70 2KH 0.431818 0.915493
71 G C C C 0.42623 0.860759
72 CG2 0.421053 0.873418
73 A U C C 0.420635 0.835443
74 G3N 0.42 0.890411
75 UDP UDP 0.418605 0.885714
76 UAD 0.418367 0.888889
77 UDX 0.418367 0.888889
78 44P 0.416667 0.902778
79 3UC 0.415842 0.842105
80 M7M 0.412371 0.797619
81 8GT 0.410526 0.907895
82 V12 0.41 0.75
83 UGB 0.41 0.901408
84 USQ 0.41 0.780488
85 UGA 0.41 0.901408
86 UP5 0.405405 0.857143
87 GEO 0.405063 0.783784
88 UDM 0.403846 0.864865
89 H6Y 0.402062 0.855263
90 NVG 0.401961 0.731707
91 CTP C C C C 0.4 0.915493
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2HVW; Ligand: DDN; Similar sites found with APoc: 56
This union binding pocket(no: 1) in the query (biounit: 2hvw.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 2FR6 URI None
2 2FR6 CTN None
3 2WBV SIA None
4 1MQ0 BRD None
5 3BPX SAL None
6 1WRA PC 2.17391
7 2BZ1 TAU 2.17391
8 5WYF ILP 2.71739
9 1UWZ THU 2.94118
10 1VAY AZA 3.26087
11 3EUT DCR 3.26087
12 1FC4 AKB PLP 3.26087
13 2GLX NDP 3.26087
14 1G8K MGD 3.80435
15 5W1E PHB 3.80435
16 5XDT MB3 3.80435
17 2Y5S 78H 3.80435
18 3K4Q IHS 4.34783
19 5ZUN 9JX 4.34783
20 4Z87 GDP 4.34783
21 5XKR BZE 4.40252
22 1CTU ZEB 4.8913
23 1SFF IK2 4.8913
24 4JWJ SAH 5.43478
25 3GUZ PAF 5.68182
26 3LL5 IP8 5.97826
27 5N53 8NB 5.97826
28 1J6X MET 6.25
29 3VPB ADP 6.52174
30 3VPC ADP 6.52174
31 3G4Q MCH 6.84932
32 4JOB TLA 7.06522
33 3C3N FMN 7.06522
34 4LCN GNG 8.15217
35 6GVZ CHO 8.15217
36 2VAR KDG 8.15217
37 4JWF SAH 8.69565
38 4JWH SAH 8.69565
39 2Q3M MLA 9.23913
40 5YSQ INS 9.23913
41 9LDT OXM 9.78261
42 1J0D 5PA 10.8696
43 5CDH TLA 10.8696
44 3R7F CP 10.8696
45 4A34 FUL 10.8844
46 3WLV AZA 11.9565
47 1A8U BEZ 11.9565
48 2XK9 XK9 11.9565
49 4Q9M FPP 11.9565
50 4AP3 FAD 13.0435
51 4AP3 NAP 13.0435
52 3A16 PXO 15.2174
53 2Z3H BLO 15.3846
54 4NDN PPK 17.3913
55 1P6O HPY 18.0124
56 4ARU TLA 19.5652
Pocket No.: 2; Query (leader) PDB : 2HVW; Ligand: DDN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2hvw.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2HVW; Ligand: DDN; Similar sites found with APoc: 12
This union binding pocket(no: 3) in the query (biounit: 2hvw.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 6GW4 CHO 1.63043
2 1CKN GTP 3.26087
3 5WSY 7UC 4.04624
4 3NTY NAP 5.43478
5 1SQS TLA 6.52174
6 2ZRU FMN 7.06522
7 2VAR KDF 8.15217
8 3F5A SIA GAL NAG 8.15217
9 1W6P NDG GAL 8.95522
10 1EP2 ORO 11.413
11 2RGX AP5 14.6739
12 3RE4 TO1 15.7609
Pocket No.: 4; Query (leader) PDB : 2HVW; Ligand: DDN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2hvw.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2HVW; Ligand: DCP; Similar sites found with APoc: 24
This union binding pocket(no: 5) in the query (biounit: 2hvw.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 5UR6 8KM 1.10497
2 3EUF BAU 2.17391
3 5GVH FMN 2.71739
4 3I6I NDP 2.71739
5 3OTI C0T 3.26087
6 3DR4 G4M 3.26087
7 4TXJ THM 3.80435
8 1M5B BN1 4.34783
9 4WZ8 3W7 4.34783
10 3B8X G4M 4.34783
11 1F06 NDP 5.43478
12 1F06 2NP 5.43478
13 1C3X 8IG 5.43478
14 5K8B PDG 5.97826
15 5GVL GI8 5.97826
16 5GVL PLG 5.97826
17 2EXX NAP 6.52174
18 5EOO CIT 7.06522
19 3WLE NAD 7.6087
20 2Z6J FMN 9.23913
21 3N29 GOL 10.8696
22 1M4I PAP 23.2044
23 1M4I KAN 23.2044
24 1M4I COA 23.2044
Pocket No.: 6; Query (leader) PDB : 2HVW; Ligand: DCP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2hvw.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2HVW; Ligand: DCP; Similar sites found with APoc: 3
This union binding pocket(no: 7) in the query (biounit: 2hvw.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 5LA1 XYP 4.8913
2 3FC4 EDO 6.52174
3 4XDA RIB 10.3261
Pocket No.: 8; Query (leader) PDB : 2HVW; Ligand: DCP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 2hvw.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 2HVW; Ligand: DDN; Similar sites found with APoc: 9
This union binding pocket(no: 9) in the query (biounit: 2hvw.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 3EHH ADP 1.08696
2 2X0K PPV 3.26087
3 3PUN FUC GAL NDG FUC 3.26087
4 1GKZ ADP 3.80435
5 5WZE PRO 4.34783
6 3EF0 ALF 4.34783
7 5KTQ DCP 7.06522
8 1YRO UDP 7.06522
9 1GZW GAL BGC 10.4478
Pocket No.: 10; Query (leader) PDB : 2HVW; Ligand: DDN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 2hvw.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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