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: 53
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 DCT 0.621951 0.971831
6 HF4 0.609756 0.90411
7 DUT 0.609756 0.929577
8 CTP 0.609756 0.90411
9 LDC 0.605634 0.847222
10 DCZ 0.605634 0.847222
11 GTF 0.581395 0.891892
12 TTP 0.55814 0.891892
13 6U4 0.554348 0.921053
14 CDP 0.535714 0.90411
15 DUD 0.52381 0.929577
16 F6G 0.516854 0.905405
17 GCQ 0.511364 0.891892
18 8DG 0.505263 0.875
19 TYD 0.477273 0.891892
20 CPA 0.468468 0.85
21 DOC 0.464286 0.957747
22 0RC 0.462366 0.881579
23 7XL 0.462366 0.88
24 CXY 0.46 0.88
25 CGP 0.452174 0.841463
26 C2G 0.447917 0.891892
27 CAR 0.447059 0.890411
28 C 0.447059 0.890411
29 C5P 0.447059 0.890411
30 2TM 0.44086 0.918919
31 CDM 0.44 0.858974
32 C5G 0.435644 0.855263
33 DTP 0.43299 0.831169
34 8GD 0.43299 0.875
35 DU 0.430233 0.915493
36 UMP 0.430233 0.915493
37 DGT 0.43 0.848101
38 CDC 0.43 0.77381
39 DG DC 0.416 0.851852
40 TLO 0.415842 0.844156
41 DUP 0.414894 0.90411
42 UTP 0.413043 0.849315
43 523 0.412371 0.921053
44 0FX 0.411215 0.835443
45 8DD 0.41 0.835443
46 U5F 0.408602 0.849315
47 HF7 0.405941 0.820513
48 T3Q 0.40566 0.835443
49 T3F 0.40566 0.835443
50 DDN 0.402299 0.915493
51 C3P 0.402299 0.876712
52 C2P 0.402299 0.916667
53 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 BRU 0.547945 0.929577
7 TMP 0.547945 0.956522
8 5HU 0.547945 0.942857
9 DC 0.527027 0.928571
10 DCM 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: 97
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 0RC 0.77027 0.918919
8 7XL 0.77027 0.944444
9 2TM 0.743243 0.958333
10 C2G 0.74026 0.957747
11 CDC 0.725 0.82716
12 C5G 0.707317 0.944444
13 CDM 0.695122 0.894737
14 CXY 0.678571 0.944444
15 CTN 0.636364 0.857143
16 AR3 0.636364 0.857143
17 C C C C 0.623529 0.916667
18 1AA 0.619565 0.906667
19 C C 0.607143 0.929577
20 UDP 0.605263 0.942029
21 I5A 0.602941 0.816901
22 YYY 0.582278 0.90411
23 GCQ 0.560976 0.90411
24 C3P 0.56 0.942857
25 MCN 0.557692 0.819277
26 PMT 0.554455 0.85
27 91P 0.553398 0.851852
28 UTP 0.54321 0.942029
29 2AA 0.542857 0.693878
30 16B 0.538462 0.917808
31 CSQ 0.536842 0.905405
32 CSV 0.536842 0.905405
33 U5F 0.536585 0.942029
34 DCP 0.535714 0.90411
35 GTF 0.523256 0.90411
36 C2P 0.519481 0.957143
37 PCD 0.517857 0.781609
38 FN5 0.509434 0.871795
39 GPC 0.509091 0.819277
40 CSF 0.504587 0.871795
41 DKZ 0.5 0.746667
42 HQ5 0.48913 0.758621
43 DCT 0.488372 0.90411
44 UNP 0.488372 0.915493
45 TKW 0.4875 0.971429
46 G C 0.481818 0.8375
47 5GW 0.477778 0.890411
48 5HM 0.47561 0.958333
49 YSC 0.469388 0.767442
50 A C A C 0.464912 0.835443
51 DC 0.463415 0.890411
52 DCM 0.463415 0.890411
53 U A C C 0.452174 0.846154
54 UPP 0.451613 0.888889
55 UDH 0.451613 0.844156
56 G8D 0.450549 0.907895
57 U5P 0.45 0.927536
58 U 0.45 0.927536
59 C5P SIA 0.447368 0.893333
60 GDU 0.446809 0.888889
61 URM 0.446809 0.876712
62 UFM 0.446809 0.888889
63 GUD 0.446809 0.888889
64 660 0.446809 0.876712
65 UPG 0.446809 0.888889
66 8OD 0.445652 0.855263
67 UPU 0.444444 0.887324
68 G G G C 0.444444 0.85
69 4GW 0.443299 0.866667
70 A G C C 0.440678 0.848101
71 DOC 0.439024 0.890411
72 M7G 0.43617 0.829268
73 U2F 0.43299 0.842105
74 UFG 0.43299 0.842105
75 UPF 0.43299 0.842105
76 2KH 0.431818 0.915493
77 G C C C 0.42623 0.860759
78 CG2 0.421053 0.873418
79 A U C C 0.420635 0.835443
80 G3N 0.42 0.890411
81 UDP UDP 0.418605 0.885714
82 UAD 0.418367 0.888889
83 UDX 0.418367 0.888889
84 44P 0.416667 0.902778
85 3UC 0.415842 0.842105
86 M7M 0.412371 0.797619
87 8GT 0.410526 0.907895
88 USQ 0.41 0.780488
89 UGB 0.41 0.901408
90 V12 0.41 0.75
91 UGA 0.41 0.901408
92 UP5 0.405405 0.857143
93 GEO 0.405063 0.783784
94 UDM 0.403846 0.864865
95 H6Y 0.402062 0.855263
96 NVG 0.401961 0.731707
97 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: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2hvw.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2hvw.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 2hvw.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 2hvw.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 2hvw.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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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