Receptor
PDB id Resolution Class Description Source Keywords
3KO0 2.3 Å NON-ENZYME: OTHER STRUCTURE OF THE TFP-CA2+-BOUND ACTIVATED FORM OF THE S100A4 METASTASIS FACTOR HOMO SAPIENS MTS1 S100A4 TFP CA2+ OLIGOMERIZATION ACETYLATION CALCIBINDING PROTEIN
Ref.: PHENOTHIAZINES INHIBIT S100A4 FUNCTION BY INDUCING OLIGOMERIZATION. PROC.NATL.ACAD.SCI.USA V. 107 8605 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:301;
A:302;
B:301;
B:302;
C:301;
C:302;
D:301;
D:302;
E:301;
E:302;
F:301;
F:302;
G:301;
G:302;
H:301;
H:302;
I:301;
I:302;
J:301;
J:302;
K:301;
K:302;
L:301;
L:302;
M:301;
M:302;
N:301;
N:302;
O:301;
O:302;
P:301;
P:302;
Q:301;
Q:302;
R:301;
R:302;
S:301;
S:302;
T:301;
T:302;
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;
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;
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;
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submit data
40.078 Ca [Ca+2...
TFP A:201;
A:202;
B:201;
B:202;
C:201;
C:202;
D:201;
D:202;
E:201;
E:202;
F:201;
F:202;
G:201;
G:202;
H:201;
H:202;
I:201;
I:202;
J:201;
J:202;
K:201;
K:202;
L:201;
L:202;
M:201;
M:202;
N:201;
N:202;
O:201;
O:202;
P:201;
P:202;
Q:201;
Q:202;
R:201;
R:202;
S:201;
S:202;
T:201;
T:202;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
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;
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none;
submit data
407.496 C21 H24 F3 N3 S CN1CC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3KO0 2.3 Å NON-ENZYME: OTHER STRUCTURE OF THE TFP-CA2+-BOUND ACTIVATED FORM OF THE S100A4 METASTASIS FACTOR HOMO SAPIENS MTS1 S100A4 TFP CA2+ OLIGOMERIZATION ACETYLATION CALCIBINDING PROTEIN
Ref.: PHENOTHIAZINES INHIBIT S100A4 FUNCTION BY INDUCING OLIGOMERIZATION. PROC.NATL.ACAD.SCI.USA V. 107 8605 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 3KO0 - TFP C21 H24 F3 N3 S CN1CCN(CC1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 3KO0 - TFP C21 H24 F3 N3 S CN1CCN(CC1....
50% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 3GK2 Kd = 2 mM 27A C13 H19 N5 S CN1CCN(CC1....
2 3CR4 Kd = 35 uM PNT C19 H24 N4 O2 c1cc(ccc1C....
3 5DKQ - 5D0 C25 H32 N4 O2 c1cc(ccc1C....
4 5DKN ic50 = 2222.1 uM B7I C25 H28 N4 O2 c1cc(ccc1c....
5 3LK1 Kd = 55.2 uM JKE C7 H6 O2 S c1ccc(c(c1....
6 3GK4 Kd = 120 uM 53A C18 H20 N4 O5 S CCOC(=O)C1....
7 5DKR ic50 = 66.6 uM 5CZ C22 H19 N5 O [H]/N=C(c1....
8 3HCM - S45 C13 H14 Cl N3 O c1cc(ccc1c....
9 3LK0 Kd = 696.9 uM Z80 C17 H19 Cl N2 S CN(C)CCCN1....
10 3CR5 Kd = 64 uM PNT C19 H24 N4 O2 c1cc(ccc1C....
11 3GK1 Kd = 80 uM 32A C13 H17 N3 O2 S CCCCC#Cc1c....
12 3KO0 - TFP C21 H24 F3 N3 S CN1CCN(CC1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TFP; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 TFP 1 1
2 Z80 0.409639 0.796296
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3KO0; Ligand: TFP; Similar sites found: 57
This union binding pocket(no: 1) in the query (biounit: 3ko0.bio6) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2EVL GAL SPH EIC 0.02102 0.42582 None
2 4MSG 2C6 0.01777 0.42401 None
3 3FRQ ERY 0.02064 0.41033 None
4 4BAE RWX 0.01378 0.40983 None
5 4IRX INS 0.00793 0.40918 None
6 4JAL SAH 0.02414 0.40908 None
7 1BRW URA 0.00184 0.44183 1.9802
8 1N83 CLR 0.016 0.4148 1.9802
9 4IEH 1E9 0.002625 0.43968 2.9703
10 2Z7I 742 0.03015 0.42592 2.9703
11 1DEK DGP 0.009751 0.41966 2.9703
12 3RDE OYP 0.02166 0.41641 2.9703
13 3AHQ FAD 0.02376 0.41269 3.9604
14 1NP7 FAD 0.0257 0.40919 3.9604
15 3D78 NBB 0.03213 0.40427 3.9604
16 2E2R 2OH 0.01487 0.42704 4.9505
17 1FCZ 156 0.03479 0.40319 4.9505
18 1YZQ GNP 0.01031 0.42799 5.94059
19 3WUC GLC GAL 0.02021 0.41928 5.94059
20 2HFK E4H 0.01128 0.41526 5.94059
21 4NBT NAD 0.01984 0.41406 5.94059
22 4EFH ADP 0.009668 0.41757 6.93069
23 3SJH ATP 0.008537 0.4264 7.92079
24 1SQK ADP 0.007202 0.42229 7.92079
25 2V52 ATP 0.009615 0.42115 7.92079
26 3SJH LAR 0.01432 0.4202 7.92079
27 3U9Z ADP 0.01192 0.41092 7.92079
28 3U2U UDP 0.0459 0.40683 7.92079
29 3RZ3 U94 0.01425 0.40503 7.92079
30 4P3H 25G 0.02633 0.40029 7.92079
31 1YAG ATP 0.01008 0.42175 8.91089
32 4PKG ATP 0.01434 0.41117 8.91089
33 4PKI ATP 0.01635 0.40534 8.91089
34 3E2M E2M 0.00272 0.45779 9.90099
35 2A3Z ATP 0.009027 0.42551 9.90099
36 3MN5 ATP 0.008216 0.42489 9.90099
37 2A40 ATP 0.01178 0.41742 9.90099
38 2A42 ATP 0.01253 0.41571 9.90099
39 2VPR TDC 0.01956 0.4075 11.8812
40 3MN9 ATP 0.009592 0.42347 13.8614
41 1LLF F23 0.03134 0.41314 13.8614
42 1OT6 HC4 0.01183 0.40999 13.8614
43 1B7H LYS NLE LYS 0.01907 0.41871 16.8317
44 2J0W ADP 0.01334 0.41728 16.8317
45 1RDT L79 0.02565 0.40468 16.8317
46 4CBX ATP 0.01656 0.40438 17.8218
47 4J56 FAD 0.03382 0.41364 18.8119
48 1GR0 NAD 0.03834 0.40435 18.8119
49 4PL8 ATP 0.01457 0.4078 20.5479
50 4LSJ LSJ 0.007875 0.41981 20.7921
51 1SR7 MOF 0.03144 0.40282 23.7624
52 5KVM THR TYR PHE ALA VAL LEU MET VAL SER 0.03846 0.40665 24.7525
53 3CGD NAD 0.03919 0.4265 25.7426
54 3CGD COA 0.03919 0.4265 25.7426
55 3CGD FAD 0.03919 0.4265 25.7426
56 4B1Y ATP 0.01043 0.41968 28.125
57 3QKD HI0 0.008361 0.42711 29.703
Pocket No.: 2; Query (leader) PDB : 3KO0; Ligand: TFP; 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: 3ko0.bio6) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3KO0; Ligand: TFP; 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: 3ko0.bio6) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3KO0; Ligand: TFP; 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: 3ko0.bio6) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3KO0; Ligand: TFP; Similar sites found: 17
This union binding pocket(no: 5) in the query (biounit: 3ko0.bio3) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1ZBQ NAD 0.04688 0.40124 None
2 1Q5D EPB 0.01095 0.41563 1.9802
3 2UZI GTP 0.02164 0.40464 1.9802
4 2VDY HCY 0.01406 0.41081 2.9703
5 1KZN CBN 0.005452 0.43838 4.9505
6 3F3E LEU 0.02403 0.42815 4.9505
7 4R84 CSF 0.01604 0.41714 4.9505
8 1NJF AGS 0.03183 0.40065 4.9505
9 5W10 CMP 0.02561 0.40244 5.94059
10 4NAT ADP 0.0213 0.45146 8.91089
11 4NAT 2W5 0.0268 0.42359 8.91089
12 2Q4H AMP 0.02498 0.41527 8.91089
13 5ITV NAI 0.007586 0.43908 9.90099
14 4P6X HCY 0.01227 0.4295 9.90099
15 2BJU IH4 0.02456 0.41536 9.90099
16 4C2V YJA 0.01993 0.41196 9.90099
17 5L7G 6QE 0.007898 0.42351 23.7624
Pocket No.: 6; Query (leader) PDB : 3KO0; Ligand: TFP; 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: 3ko0.bio3) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3KO0; Ligand: TFP; 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: 3ko0.bio3) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3KO0; Ligand: TFP; 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: 3ko0.bio3) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 3KO0; Ligand: TFP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 3ko0.bio2) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 3KO0; Ligand: TFP; Similar sites found: 26
This union binding pocket(no: 10) in the query (biounit: 3ko0.bio2) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3IUY AMP 0.005737 0.4259 None
2 4PL9 ADP 0.01252 0.41002 None
3 3KFC 61X 0.04202 0.40592 None
4 1YOK P6L 0.01973 0.43253 1.9802
5 3JQ9 NAP 0.03856 0.40369 1.9802
6 1UOU CMU 0.0127 0.40704 2.9703
7 4B2Z P5S 0.049 0.41139 3.9604
8 3QXY SAM 0.01253 0.40337 3.9604
9 2XN3 ID8 0.01281 0.40013 4.9505
10 3KRL KRL 0.02881 0.4058 5.94059
11 1H5Q NAP 0.03008 0.41273 6.93069
12 5XLX SAH 0.01331 0.40944 6.93069
13 1XKD NAP 0.03725 0.40288 6.93069
14 2Q97 ATP 0.02355 0.4074 7.92079
15 1B8O IMH 0.03386 0.40335 7.92079
16 4R6W SAH 0.04929 0.40267 7.92079
17 1W85 TDP 0.02942 0.40351 9.90099
18 1N62 FAD 0.01794 0.43422 10.8911
19 3V49 PK0 0.02841 0.4089 10.8911
20 5SYM 71Q 0.02898 0.40144 10.8911
21 1RHC F42 ACN 0.02593 0.40587 12.8713
22 2F99 AKV 0.02435 0.40373 12.8713
23 3RK0 AMP 0.02083 0.40052 13.8614
24 1A59 COA 0.01747 0.40963 24.7525
25 2Q1H AS4 0.0107 0.41769 28.7129
26 2RG0 CTT 0.02017 0.414 29.703
Pocket No.: 11; Query (leader) PDB : 3KO0; Ligand: TFP; 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: 3ko0.bio2) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 3KO0; Ligand: TFP; 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: 3ko0.bio2) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 3KO0; Ligand: TFP; Similar sites found: 6
This union binding pocket(no: 13) in the query (biounit: 3ko0.bio8) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1MS9 LAT 0.01124 0.41755 5.94059
2 1WDK N8E 0.02919 0.40132 5.94059
3 1R37 NAD 0.01916 0.41934 7.92079
4 3PE2 E1B 0.02376 0.42157 9.90099
5 4OCJ NDG 0.02779 0.41739 13.8614
6 1HV9 UD1 0.04018 0.40751 28.7129
Pocket No.: 14; Query (leader) PDB : 3KO0; Ligand: TFP; 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: 3ko0.bio8) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 3KO0; Ligand: TFP; 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: 3ko0.bio8) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 3KO0; Ligand: TFP; 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: 3ko0.bio8) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 17; Query (leader) PDB : 3KO0; Ligand: TFP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 17) in the query (biounit: 3ko0.bio5) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 18; Query (leader) PDB : 3KO0; Ligand: TFP; Similar sites found: 7
This union binding pocket(no: 18) in the query (biounit: 3ko0.bio5) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1EK0 GNP 0.02188 0.4021 None
2 1ODM ASV 0.02987 0.40363 5.94059
3 1VLH PNS 0.01227 0.40788 6.93069
4 4G7A AZM 0.01616 0.40292 6.93069
5 4PNE SAH 0.01812 0.40884 8.91089
6 4WAS NAP 0.04756 0.40359 9.90099
7 4AXD ANP 0.04733 0.4101 12.8713
Pocket No.: 19; Query (leader) PDB : 3KO0; Ligand: TFP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 19) in the query (biounit: 3ko0.bio5) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 20; Query (leader) PDB : 3KO0; Ligand: TFP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 20) in the query (biounit: 3ko0.bio5) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 21; Query (leader) PDB : 3KO0; Ligand: TFP; Similar sites found: 149
This union binding pocket(no: 21) in the query (biounit: 3ko0.bio10) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1HFS L04 0.001111 0.49839 None
2 5UGW GSH 0.000265 0.4901 None
3 1ZVX FIN 0.001767 0.48646 None
4 1Q1Y BB2 0.001517 0.46965 None
5 1KUK PCA LYS TRP 0.001207 0.46322 None
6 2OKL BB2 0.0023 0.46322 None
7 1ATL 0QI 0.00285 0.45359 None
8 1QJC PNS 0.01449 0.44539 None
9 3R1V AZB 0.006342 0.44265 None
10 4AIG FLX 0.002333 0.44241 None
11 3KDU NKS 0.01606 0.44 None
12 3CB2 GDP 0.006955 0.43283 None
13 4PJT 2YQ 0.02035 0.42878 None
14 1UVC STE 0.01811 0.4282 None
15 3ET1 ET1 0.01058 0.426 None
16 3OLL EST 0.01211 0.42433 None
17 3NBK PNS 0.01447 0.41992 None
18 3S7O LBV 0.03041 0.41945 None
19 4C2X NHW 0.03269 0.41893 None
20 2ZFU SAH 0.009802 0.41891 None
21 1AWI PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.01565 0.41785 None
22 1N8V BDD 0.02656 0.41767 None
23 1RM8 BAT 0.008439 0.41699 None
24 2J1P GRG 0.0289 0.41285 None
25 1YKI NFZ 0.04371 0.41139 None
26 1YKI FMN 0.03876 0.41139 None
27 5U98 VAL THR THR ASP ILE GLN VAL LYS VAL 0.02299 0.41014 None
28 3STD MQ0 0.0288 0.4094 None
29 2GJ3 FAD 0.02617 0.40767 None
30 3JRS A8S 0.01725 0.40584 None
31 1YBU APC 0.01911 0.40573 None
32 2GBB CIT 0.009762 0.4049 None
33 5HGZ ACO 0.03343 0.40264 None
34 2PX6 DH9 0.01201 0.40134 None
35 2FP2 TSA 0.02584 0.40124 None
36 4HBM 0Y7 0.03037 0.40045 None
37 1YUC EPH 0.001367 0.47242 1.9802
38 3M6P BB2 0.00438 0.44739 1.9802
39 1ZDU P3A 0.009473 0.43036 1.9802
40 3G5D 1N1 0.03548 0.42972 1.9802
41 3ETG GLU 0.04642 0.40792 1.9802
42 2QE4 JJ3 0.009717 0.44383 2.9703
43 2BJ4 OHT 0.005819 0.4414 2.9703
44 1SBR VIB 0.006986 0.42301 2.9703
45 2PD4 DCN 0.02853 0.42067 2.9703
46 2PD4 NAD 0.03329 0.41649 2.9703
47 3P0K FAD 0.003396 0.46579 3.9604
48 1YDK GTX 0.005842 0.45315 3.9604
49 4ZOM 4Q3 0.02423 0.41222 3.9604
50 3IX8 TX3 0.03317 0.40962 3.9604
51 1MGP PLM 0.0446 0.404 3.9604
52 1VPV PLM 0.04891 0.40175 3.9604
53 1YKD CMP 0.01398 0.41535 4.27136
54 5L2J 6UL 0.0109 0.45757 4.9505
55 5L2J 70E 0.0114 0.45757 4.9505
56 4KX8 L2O VAL VAL ASP 0.008525 0.43095 4.9505
57 3QCP FAD 0.01489 0.4237 4.9505
58 1SO2 666 0.01481 0.41645 4.9505
59 3MBG FAD 0.01713 0.41644 4.9505
60 1YP0 PEF 0.0004911 0.49188 5.94059
61 1YMT DR9 0.0008403 0.49012 5.94059
62 3SVJ 4LI 0.002772 0.46275 5.94059
63 1P3D ANP 0.004349 0.45066 5.94059
64 5DHU 5A8 0.02073 0.44449 5.94059
65 4DR9 BB2 0.005634 0.43762 5.94059
66 3KDJ A8S 0.008325 0.43106 5.94059
67 3WCA FPS 0.01752 0.42636 5.94059
68 1FCH TYR GLN SER LYS LEU 0.009154 0.42516 5.94059
69 4QWT ACD 0.0256 0.41391 5.94059
70 3HY9 098 0.01564 0.41039 5.94059
71 2ZPA ACO 0.02914 0.40762 5.94059
72 1C9K 5GP 0.01023 0.40762 5.94059
73 3NTD COA 0.0496 0.40742 5.94059
74 3TDC 0EU 0.001161 0.40714 5.94059
75 1ECM TSA 0.01165 0.40697 5.94059
76 3ZUY TCH 0.01895 0.40169 5.94059
77 3OJI PYV 0.001919 0.47198 6.93069
78 5JO1 6LM 0.003118 0.45706 6.93069
79 1GQY ACP 0.002993 0.45645 6.93069
80 2GCE SFC 0.01224 0.44703 6.93069
81 2O5L MNR 0.005936 0.43956 6.93069
82 2WG9 OCA 0.004455 0.43462 6.93069
83 4DV8 0LX 0.0178 0.42983 6.93069
84 4V24 GYR 0.01475 0.42967 6.93069
85 4Y2H 49K 0.01753 0.42836 6.93069
86 3GWT 066 0.0144 0.42411 6.93069
87 2Q2Y MKR 0.03335 0.41863 6.93069
88 2Q2Y ADP 0.03454 0.41863 6.93069
89 1XMY ROL 0.008482 0.40778 6.93069
90 3HP9 CF1 0.01042 0.40524 6.93069
91 4C12 ADP 0.02118 0.44926 7.92079
92 3SCM LGN 0.02762 0.44086 7.92079
93 2J83 BAT 0.005227 0.44073 7.92079
94 2YNC YNC 0.02052 0.43024 7.92079
95 4M7V RAR 0.02418 0.42792 7.92079
96 3QP4 HL0 0.01186 0.41995 7.92079
97 5IR4 ZPE 0.02425 0.41838 7.92079
98 4JD3 COA 0.03348 0.41387 7.92079
99 4JD3 PLM 0.03562 0.41387 7.92079
100 2RH1 CAU 0.02661 0.40115 7.92079
101 2V7Y ADP 0.03193 0.40004 7.92079
102 3G5K BB2 0.005094 0.44167 8.91089
103 2ZXG S23 0.01107 0.4302 8.91089
104 4E90 7RG 0.0122 0.41403 8.91089
105 2GQT FAD 0.03732 0.41222 8.91089
106 3P9T TCL 0.01248 0.4001 8.91089
107 3G9E RO7 0.006739 0.45345 9.90099
108 4OYA 1VE 0.01745 0.44765 9.90099
109 3ET3 ET1 0.005711 0.4412 9.90099
110 3G58 988 0.003633 0.42953 9.90099
111 2GTE VA 0.01851 0.42347 9.90099
112 2EIX FAD 0.0228 0.42059 9.90099
113 2HFP NSI 0.01848 0.41521 9.90099
114 1RX0 2MC 0.02786 0.40628 9.90099
115 1ZGA HMK 0.008811 0.42757 10.8911
116 2AX9 BHM 0.02625 0.42668 10.8911
117 4GFD 0YB 0.01749 0.42324 10.8911
118 3KMZ EQO 0.03746 0.41261 10.8911
119 2A3I C0R 0.006629 0.42062 11.8812
120 1BGQ RDC 0.0169 0.42031 11.8812
121 2WCJ M21 0.01033 0.42003 11.8812
122 2TCL RO4 0.0006894 0.49616 12.8713
123 1EYQ NAR 0.001493 0.45492 12.8713
124 3HR1 PF9 0.003921 0.44738 12.8713
125 3EWK FAD 0.005516 0.42522 12.8713
126 4JNE ATP 0.01893 0.42017 14.8515
127 3WV1 WHH 0.001147 0.50972 15.8416
128 1M48 FRG 0.009023 0.41329 16.5414
129 1Q3A NGH 0.0001156 0.52217 16.8317
130 1OLM VTQ 0.006116 0.43838 16.8317
131 1CZR FMN 0.008601 0.4286 16.8317
132 1FM9 9CR 0.008567 0.41877 16.8317
133 4POJ 2VP 0.01 0.412 16.8317
134 1DKF OLA 0.01074 0.41146 16.8317
135 1FM9 570 0.03467 0.40556 16.8317
136 1FBL HTA 0.0007405 0.47878 18.8119
137 3NMV PYV 0.005837 0.43226 18.8119
138 3WYJ H78 0.04618 0.42427 18.8119
139 3G4G D71 0.002608 0.44878 19.802
140 3BQD DAY 0.0009185 0.47725 20.7921
141 1NHZ 486 0.00357 0.45047 20.7921
142 4DHY S41 0.01489 0.4229 20.7921
143 4B9Q ATP 0.01859 0.41636 21.7822
144 2JC9 ADN 0.01185 0.40406 21.7822
145 4QOM PYG 0.03862 0.40285 21.7822
146 4OAR 2S0 0.002843 0.44939 23.7624
147 1T8U UAP SGN IDS SGN 0.02302 0.43725 25.7426
148 3LCV SAM 0.03027 0.40619 26.7327
149 3GD4 NAD 0.03529 0.4122 28.7129
Pocket No.: 22; Query (leader) PDB : 3KO0; Ligand: TFP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 22) in the query (biounit: 3ko0.bio10) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 23; Query (leader) PDB : 3KO0; Ligand: TFP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 23) in the query (biounit: 3ko0.bio10) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 24; Query (leader) PDB : 3KO0; Ligand: TFP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 24) in the query (biounit: 3ko0.bio10) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 25; Query (leader) PDB : 3KO0; Ligand: TFP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 25) in the query (biounit: 3ko0.bio9) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 26; Query (leader) PDB : 3KO0; Ligand: TFP; Similar sites found: 40
This union binding pocket(no: 26) in the query (biounit: 3ko0.bio9) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3G08 FEE 0.005199 0.47695 None
2 1H9G COA MYR 0.01058 0.44427 None
3 3RET PYR 0.01067 0.4091 None
4 1BKC INN 0.0121 0.40848 None
5 2W14 WR2 0.01805 0.40478 None
6 3ZCB ATP 0.02344 0.4047 None
7 1ZEI CRS 0.01579 0.40008 None
8 3ETG GTP 0.02877 0.41759 1.9802
9 2C0U FAD NBT 0.04137 0.40603 1.9802
10 1X0P FAD 0.02678 0.40015 2.9703
11 1IID NHM 0.02326 0.43098 3.9604
12 5APJ 76E 0.04348 0.41262 3.9604
13 2CDU ADP 0.04898 0.40093 3.9604
14 1R5L VIV 0.0119 0.42987 4.9505
15 4KIB SAH 0.02652 0.40264 4.9505
16 2ZCQ B65 0.02373 0.42615 5.94059
17 4ORM 2V6 0.0137 0.44864 6.93069
18 4ORM ORO 0.0137 0.44864 6.93069
19 4ORM FMN 0.0137 0.44864 6.93069
20 4WZ8 3W7 0.0322 0.43065 6.93069
21 5V13 JH3 0.01216 0.4151 6.93069
22 4Z2B 4LC 0.02933 0.40199 6.93069
23 5WQJ 7N3 0.01688 0.40112 6.93069
24 1JDC GLC GLC GLC GLC 0.04889 0.40105 6.93069
25 1M13 HYF 0.04369 0.40097 6.93069
26 3TGE TGE 0.01142 0.45832 7.92079
27 5EY0 GTP 0.01455 0.40513 7.92079
28 2BIF BOG 0.03387 0.4046 7.92079
29 2FZH DH1 0.02356 0.43043 8.91089
30 5B4B LP5 0.04174 0.40929 8.91089
31 4DD8 BAT 0.01072 0.41016 9.90099
32 2BW7 APC 0.03267 0.42802 10.8911
33 2BW7 ECS 0.03015 0.42802 10.8911
34 4DM8 REA 0.03929 0.40634 12
35 2DYR TGL 0.01709 0.4323 14.8936
36 1YQZ FAD 0.04702 0.41689 16.8317
37 3H0A 9RA 0.01168 0.40152 16.8317
38 3FAL REA 0.02035 0.40045 16.8317
39 4J36 1HR 0.02948 0.42447 20.7921
40 2IBZ UQ6 0.02322 0.40555 20.7921
Pocket No.: 27; Query (leader) PDB : 3KO0; Ligand: TFP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 27) in the query (biounit: 3ko0.bio9) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 28; Query (leader) PDB : 3KO0; Ligand: TFP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 28) in the query (biounit: 3ko0.bio9) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 29; Query (leader) PDB : 3KO0; Ligand: TFP; Similar sites found: 38
This union binding pocket(no: 29) in the query (biounit: 3ko0.bio4) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2I0G I0G 0.01095 0.44967 None
2 5AZC PGT 0.03218 0.42379 None
3 3MJE NDP 0.01725 0.41314 None
4 1GHE ACO 0.0219 0.41242 None
5 1XIU REA 0.009225 0.4116 None
6 1NTV ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.02354 0.40983 None
7 3QCJ NX4 0.02612 0.40582 None
8 4J24 EST 0.021 0.40177 None
9 3SP6 IL2 0.04753 0.40118 None
10 3ETG GWD 0.01803 0.40227 1.9802
11 1R55 097 0.01644 0.40003 1.9802
12 2AMV BIN 0.04425 0.42228 4.9505
13 4M73 M72 0.04915 0.40894 4.9505
14 5UI2 EQ3 0.03579 0.40813 4.9505
15 2LBD REA 0.01631 0.40653 4.9505
16 3KB9 BTM 0.01945 0.4033 4.9505
17 5C1M 4VO 0.01914 0.40255 4.9505
18 3NT6 COA 0.03568 0.41763 5.94059
19 5VZ0 2BA 0.01149 0.41245 5.94059
20 4U0S ADP 0.01716 0.40588 5.94059
21 2BNE U5P 0.03126 0.40462 5.94059
22 2WYA HMG 0.03866 0.40353 5.94059
23 2OO8 RAJ 0.03855 0.40096 5.94059
24 2W90 6PG 0.0196 0.42446 6.93069
25 4A6D SAM 0.03907 0.42125 6.93069
26 2YYJ FAD 0.04357 0.41363 6.93069
27 4Y2H SAH 0.03075 0.40925 6.93069
28 3WH1 NAG NAG NAG NAG 0.02128 0.40464 6.93069
29 3N7S 3N7 0.008947 0.40329 6.93069
30 4NKW PLO 0.02761 0.40065 6.93069
31 2EW5 Y12 0.02525 0.40035 6.93069
32 1LRI CLR 0.02219 0.41354 7.14286
33 2PRG BRL 0.00234 0.45455 9.90099
34 1EM6 CP4 0.04623 0.43766 13.8614
35 1DKF BMS 0.01298 0.41013 16.8317
36 4RC8 STE 0.01293 0.40781 16.8317
37 3FAL LO2 0.02964 0.40213 16.8317
38 2D5Z L35 0.04725 0.43433 25.7426
Pocket No.: 30; Query (leader) PDB : 3KO0; Ligand: TFP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 30) in the query (biounit: 3ko0.bio4) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 31; Query (leader) PDB : 3KO0; Ligand: TFP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 31) in the query (biounit: 3ko0.bio4) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 32; Query (leader) PDB : 3KO0; Ligand: TFP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 32) in the query (biounit: 3ko0.bio4) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 33; Query (leader) PDB : 3KO0; Ligand: TFP; Similar sites found: 30
This union binding pocket(no: 33) in the query (biounit: 3ko0.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2CIG 1DG 0.02633 0.43062 None
2 3RG9 WRA 0.0331 0.41931 None
3 3RG9 NDP 0.04726 0.40905 None
4 3D91 REM 0.02921 0.46263 2.9703
5 3MPI FAD 0.03405 0.41819 2.9703
6 4IA6 EIC 0.008375 0.41764 2.9703
7 5A5W GUO 0.04677 0.40756 3.9604
8 3KJS DQ1 0.02051 0.43018 5.94059
9 3IU9 T07 0.04486 0.40793 5.94059
10 2FB3 GTP 0.03005 0.41251 8.91089
11 2QG6 NMN 0.03794 0.40645 8.91089
12 2BUP ATP 0.01565 0.42353 9.90099
13 3LDQ 3P1 0.01633 0.41736 9.90099
14 4P4M D3T 0.01561 0.40291 9.90099
15 4FHD EEM 0.01459 0.43132 10.8911
16 4FHD 0TT 0.01459 0.43132 10.8911
17 1ME8 RVP 0.02023 0.43285 11.8812
18 5LVP ATP 0.01829 0.40882 16.8317
19 2BL9 CP6 0.03221 0.42249 17.8218
20 5LJ0 6XX 0.02369 0.40753 17.8218
21 1ZN7 PRP 0.03562 0.40123 17.8218
22 1ZN7 ADE 0.02359 0.40123 17.8218
23 1MV8 NAD 0.02433 0.41336 19.802
24 2A92 NAI 0.02233 0.42621 20.7921
25 5AR0 GB8 0.02555 0.40592 20.7921
26 3PC3 P1T 0.03505 0.40508 20.7921
27 2IBZ SMA 0.0457 0.40001 20.7921
28 1G3M PCQ 0.02258 0.43101 21.7822
29 3IB1 IMN 0.01535 0.40942 24.7525
30 5FPE 3TR 0.01824 0.40846 26.7327
Pocket No.: 34; Query (leader) PDB : 3KO0; Ligand: TFP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 34) in the query (biounit: 3ko0.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 35; Query (leader) PDB : 3KO0; Ligand: TFP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 35) in the query (biounit: 3ko0.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 36; Query (leader) PDB : 3KO0; Ligand: TFP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 36) in the query (biounit: 3ko0.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 37; Query (leader) PDB : 3KO0; Ligand: TFP; Similar sites found: 6
This union binding pocket(no: 37) in the query (biounit: 3ko0.bio7) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3TTZ 07N 0.01584 0.40716 None
2 2X05 X05 0.0249 0.40019 4.9505
3 4A8H PUW 0.02562 0.40282 8.91089
4 5GK9 ACO 0.03087 0.40624 11.8812
5 2DYR PSC 0.0493 0.40589 14.8936
6 4N82 FMN 0.02663 0.40154 27.7228
Pocket No.: 38; Query (leader) PDB : 3KO0; Ligand: TFP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 38) in the query (biounit: 3ko0.bio7) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 39; Query (leader) PDB : 3KO0; Ligand: TFP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 39) in the query (biounit: 3ko0.bio7) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 40; Query (leader) PDB : 3KO0; Ligand: TFP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 40) in the query (biounit: 3ko0.bio7) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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