Receptor
PDB id Resolution Class Description Source Keywords
3UDV 1.88 Å EC: 2.7.6.3 CRYSTAL STRUCTURE OF E. COLI HPPK IN COMPLEX WITH BISUBSTRAT INHIBITOR J1C ESCHERICHIA COLI ALPHA BETA KINASE ATP BINDING PYROPHOSPHORYL TRANSFER TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: BISUBSTRATE ANALOGUE INHIBITORS OF 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE DESIGN WITH IMPROVED PROPERTIES. BIOORG.MED.CHEM. V. 20 47 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:191;
Invalid;
none;
submit data
59.044 C2 H3 O2 CC(=O...
J1C A:171;
Valid;
none;
Kd = 2.55 uM
628.706 C26 H36 N12 O5 S CC1(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1TMM 1.25 Å EC: 2.7.6.3 CRYSTAL STRUCTURE OF TERNARY COMPLEX OF E.COLI HPPK(W89A) WI MGAMPCPP AND 6-HYDROXYMETHYLPTERIN ESCHERICHIA COLI PYROPHOSPHOKINASE PYROPHOSPHORYL TRANSFER CATALYTIC MECHANFOLATE HPPK PTERIN 6-HYDROXYMETHYL-78-DIHYDROPTERIN 6-HYDROXYMETHYLPTERIN TERNARY COMPLEX SUBSTRATE SPECIFICITYRELEASE ANTIMICROBIAL AGENT DRUG DESIGN TRANSFERASE
Ref.: IS THE CRITICAL ROLE OF LOOP 3 OF ESCHERICHIA COLI 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE CATALYSIS DUE TO LOOP-3 RESIDUES ARGININE-84 AND TRYPTOPHAN-89? SITE-DIRECTED MUTAGENESIS, BIOCHEMIC CRYSTALLOGRAPHIC STUDIES. BIOCHEMISTRY
Members (36)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3HD1 - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
2 5ETO Kd = 2.7 uM 5RY C13 H9 F N6 O S c1cc(c(cc1....
3 1HQ2 - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
4 3HT0 - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
5 4M5J Kd = 14.5 uM YH5 C14 H13 N5 O3 S COc1ccc(cc....
6 5ETP Kd = 0.7 uM 5RZ C13 H10 Br N5 O2 S c1cc(ccc1C....
7 1DY3 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
8 5ETM Kd = 3.9 uM 5RW C12 H10 F N5 O S c1cc(ccc1C....
9 3HSG - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
10 5ETN Kd = 4.3 uM 5RX C12 H10 Cl N5 O S c1cc(ccc1C....
11 4M5M Kd = 18 uM DX4 C5 H5 N5 S c1[nH]c2c(....
12 1EX8 Kd = 0.47 uM A4P C17 H24 N10 O17 P4 c1nc(c2c(n....
13 4M5H Kd = 29.2 uM YH2 C13 H10 N6 O S c1cc(ccc1C....
14 1EQM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
15 3UDE - J1B C26 H38 N12 O4 S CC1(C(=NC2....
16 1Q0N - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
17 1RU2 Kd = 18 uM HHR C7 H7 N5 O2 c1c(nc2c(n....
18 3UD5 - J1A C24 H32 N12 O4 S c1c(nc2c(n....
19 4M5K Kd = 5.9 uM YH3 C14 H13 N5 O2 S Cc1cccc(c1....
20 4M5G Kd = 9.7 uM YH1 C13 H11 N5 O2 S c1ccc(cc1)....
21 5ETK Kd = 50 uM 5RU C12 H10 F N5 O S c1ccc(c(c1....
22 3IP0 - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
23 3ILO - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
24 3HD2 - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
25 4M5N Kd = 7.5 uM YH7 C5 H5 N5 S C1=NC2=C(N....
26 1RB0 - HH2 C7 H9 N5 O8 P2 c1c(nc2c(n....
27 5ETL Kd = 23 uM 5RV C13 H10 N6 O S c1ccc(c(c1....
28 4M5I Kd = 6.7 uM YH6 C14 H13 N5 O2 S Cc1ccc(cc1....
29 4F7V Kd = 4.16 uM J1D C23 H30 N12 O8 S CC1(C(=NC2....
30 1RU1 Kd = 18 uM PH2 C7 H9 N5 O2 C1C(=NC2=C....
31 3KUH - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
32 1F9H - PH2 C7 H9 N5 O2 C1C(=NC2=C....
33 3UDV Kd = 2.55 uM J1C C26 H36 N12 O5 S CC1(C(=NC2....
34 1RAO - HH2 C7 H9 N5 O8 P2 c1c(nc2c(n....
35 1TMM Kd = 0.23 uM APC C11 H18 N5 O12 P3 c1nc(c2c(n....
36 4M5L Kd = 18.9 uM YH4 C14 H13 N5 O2 S Cc1ccccc1C....
70% Homology Family (38)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3HD1 - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
2 5ETO Kd = 2.7 uM 5RY C13 H9 F N6 O S c1cc(c(cc1....
3 1HQ2 - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
4 3HT0 - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
5 4M5J Kd = 14.5 uM YH5 C14 H13 N5 O3 S COc1ccc(cc....
6 5ETP Kd = 0.7 uM 5RZ C13 H10 Br N5 O2 S c1cc(ccc1C....
7 1DY3 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
8 5ETM Kd = 3.9 uM 5RW C12 H10 F N5 O S c1cc(ccc1C....
9 3HSG - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
10 5ETN Kd = 4.3 uM 5RX C12 H10 Cl N5 O S c1cc(ccc1C....
11 4M5M Kd = 18 uM DX4 C5 H5 N5 S c1[nH]c2c(....
12 1EX8 Kd = 0.47 uM A4P C17 H24 N10 O17 P4 c1nc(c2c(n....
13 4M5H Kd = 29.2 uM YH2 C13 H10 N6 O S c1cc(ccc1C....
14 1EQM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
15 3UDE - J1B C26 H38 N12 O4 S CC1(C(=NC2....
16 1Q0N - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
17 1RU2 Kd = 18 uM HHR C7 H7 N5 O2 c1c(nc2c(n....
18 3UD5 - J1A C24 H32 N12 O4 S c1c(nc2c(n....
19 4M5K Kd = 5.9 uM YH3 C14 H13 N5 O2 S Cc1cccc(c1....
20 4M5G Kd = 9.7 uM YH1 C13 H11 N5 O2 S c1ccc(cc1)....
21 5ETK Kd = 50 uM 5RU C12 H10 F N5 O S c1ccc(c(c1....
22 3IP0 - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
23 3ILO - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
24 3HD2 - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
25 4M5N Kd = 7.5 uM YH7 C5 H5 N5 S C1=NC2=C(N....
26 1RB0 - HH2 C7 H9 N5 O8 P2 c1c(nc2c(n....
27 5ETL Kd = 23 uM 5RV C13 H10 N6 O S c1ccc(c(c1....
28 4M5I Kd = 6.7 uM YH6 C14 H13 N5 O2 S Cc1ccc(cc1....
29 4F7V Kd = 4.16 uM J1D C23 H30 N12 O8 S CC1(C(=NC2....
30 1RU1 Kd = 18 uM PH2 C7 H9 N5 O2 C1C(=NC2=C....
31 3KUH - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
32 1F9H - PH2 C7 H9 N5 O2 C1C(=NC2=C....
33 3UDV Kd = 2.55 uM J1C C26 H36 N12 O5 S CC1(C(=NC2....
34 1RAO - HH2 C7 H9 N5 O8 P2 c1c(nc2c(n....
35 1TMM Kd = 0.23 uM APC C11 H18 N5 O12 P3 c1nc(c2c(n....
36 4M5L Kd = 18.9 uM YH4 C14 H13 N5 O2 S Cc1ccccc1C....
37 2QX0 Kd = 0.78 uM PH2 C7 H9 N5 O2 C1C(=NC2=C....
38 1CBK - ROI C8 H11 N5 O2 CC1(C(=NC2....
50% Homology Family (47)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3HD1 - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
2 5ETO Kd = 2.7 uM 5RY C13 H9 F N6 O S c1cc(c(cc1....
3 1HQ2 - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
4 3HT0 - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
5 4M5J Kd = 14.5 uM YH5 C14 H13 N5 O3 S COc1ccc(cc....
6 5ETP Kd = 0.7 uM 5RZ C13 H10 Br N5 O2 S c1cc(ccc1C....
7 1DY3 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
8 5ETM Kd = 3.9 uM 5RW C12 H10 F N5 O S c1cc(ccc1C....
9 3HSG - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
10 5ETN Kd = 4.3 uM 5RX C12 H10 Cl N5 O S c1cc(ccc1C....
11 4M5M Kd = 18 uM DX4 C5 H5 N5 S c1[nH]c2c(....
12 1EX8 Kd = 0.47 uM A4P C17 H24 N10 O17 P4 c1nc(c2c(n....
13 4M5H Kd = 29.2 uM YH2 C13 H10 N6 O S c1cc(ccc1C....
14 1EQM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
15 3UDE - J1B C26 H38 N12 O4 S CC1(C(=NC2....
16 1Q0N - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
17 1RU2 Kd = 18 uM HHR C7 H7 N5 O2 c1c(nc2c(n....
18 3UD5 - J1A C24 H32 N12 O4 S c1c(nc2c(n....
19 4M5K Kd = 5.9 uM YH3 C14 H13 N5 O2 S Cc1cccc(c1....
20 4M5G Kd = 9.7 uM YH1 C13 H11 N5 O2 S c1ccc(cc1)....
21 5ETK Kd = 50 uM 5RU C12 H10 F N5 O S c1ccc(c(c1....
22 3IP0 - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
23 3ILO - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
24 3HD2 - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
25 4M5N Kd = 7.5 uM YH7 C5 H5 N5 S C1=NC2=C(N....
26 1RB0 - HH2 C7 H9 N5 O8 P2 c1c(nc2c(n....
27 5ETL Kd = 23 uM 5RV C13 H10 N6 O S c1ccc(c(c1....
28 4M5I Kd = 6.7 uM YH6 C14 H13 N5 O2 S Cc1ccc(cc1....
29 4F7V Kd = 4.16 uM J1D C23 H30 N12 O8 S CC1(C(=NC2....
30 1RU1 Kd = 18 uM PH2 C7 H9 N5 O2 C1C(=NC2=C....
31 3KUH - APC C11 H18 N5 O12 P3 c1nc(c2c(n....
32 1F9H - PH2 C7 H9 N5 O2 C1C(=NC2=C....
33 3UDV Kd = 2.55 uM J1C C26 H36 N12 O5 S CC1(C(=NC2....
34 1RAO - HH2 C7 H9 N5 O8 P2 c1c(nc2c(n....
35 1TMM Kd = 0.23 uM APC C11 H18 N5 O12 P3 c1nc(c2c(n....
36 4M5L Kd = 18.9 uM YH4 C14 H13 N5 O2 S Cc1ccccc1C....
37 2QX0 Kd = 0.78 uM PH2 C7 H9 N5 O2 C1C(=NC2=C....
38 1CBK - ROI C8 H11 N5 O2 CC1(C(=NC2....
39 4AD6 Kd = 16.7 uM GSY C7 H9 N5 O2 S C(CO)n1c2c....
40 5ETQ Kd = 0.33 uM YH2 C13 H10 N6 O S c1cc(ccc1C....
41 5ETR Kd = 0.3 uM 5RW C12 H10 F N5 O S c1cc(ccc1C....
42 4CRJ Kd = 1.1 uM YH5 C14 H13 N5 O3 S COc1ccc(cc....
43 4CWB Kd = 0.81 uM X6L C19 H15 N5 O2 S c1ccc(cc1)....
44 5ETS Kd = 1.24 uM 5RX C12 H10 Cl N5 O S c1cc(ccc1C....
45 3QBC Kd = 12.8 uM B55 C5 H5 N5 O S c12c([nH]c....
46 5ETT Kd = 0.59 uM 5RY C13 H9 F N6 O S c1cc(c(cc1....
47 5ETV Kd = 0.57 uM 5RZ C13 H10 Br N5 O2 S c1cc(ccc1C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: J1C; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 J1C 1 1
2 J1B 0.728682 0.977778
3 J1D 0.588235 0.877551
4 J1A 0.586957 0.855556
5 MTA 0.435897 0.67033
6 3DH 0.416667 0.67033
7 DTA 0.415254 0.663043
8 A4P 0.4 0.791667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1TMM; Ligand: HHR; Similar sites found: 58
This union binding pocket(no: 1) in the query (biounit: 1tmm.bio2) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4QPW XYP XYP XYP 0.00646 0.42383 None
2 1DQN IMU 0.01276 0.42343 None
3 1G1T SIA GAL MAG FUC 0.029 0.41159 None
4 3LQV ADE 0.033 0.40448 1.73913
5 4ZES MMA 0.004499 0.43625 2.04082
6 3P7G MAN 0.00777 0.4302 2.05479
7 1Z0N BCD 0.02474 0.40865 2.08333
8 3QDU CBS CBS 0.02873 0.41163 2.0979
9 1J1R ADE 0.002006 0.47313 2.53165
10 2GQS ADP 0.002675 0.43972 2.53165
11 1LPD ADE 0.02272 0.40655 2.53165
12 2MSB NAG BMA MAN MAN MAN MAN MAN 0.01569 0.42611 2.6087
13 1RDL MMA 0.002477 0.45406 2.65487
14 3WH2 FLC 0.003342 0.45361 2.72109
15 1JZN BGC GAL 0.004577 0.46229 2.96296
16 2OFE NAG 0.0168 0.42375 3.52113
17 4Z2S NDG 0.01745 0.42279 3.52113
18 4Z2S NAG 0.01745 0.42279 3.52113
19 2OFD NGA 0.02637 0.41162 3.52113
20 1QCI ADE 0.01399 0.41719 3.79747
21 1PWB GLC 0.002397 0.41383 3.79747
22 3ML5 AZM 0.03111 0.40846 3.79747
23 5KO1 6UY 0.01862 0.4002 3.79747
24 3LE7 ADE 0.006121 0.44445 5.06329
25 5DA3 58V 0.006796 0.43295 5.06329
26 1YQC GLV 0.008037 0.42711 5.06329
27 2ZL7 FUC GAL NGA 0.0159 0.42522 5.06329
28 3BFV ADP 0.02932 0.40094 5.06329
29 3Q60 ATP 0.01423 0.4057 5.6962
30 2PUL ACP 0.01688 0.40221 5.6962
31 4CS9 AMP 0.004552 0.45636 6.32911
32 2BKK ADP 0.003749 0.43287 6.32911
33 3X01 AMP 0.01604 0.42409 6.32911
34 4WQQ MAN 0.0211 0.41538 6.38298
35 5T7I LAT NAG GAL 0.03544 0.40646 6.45161
36 4KZV TRE 0.02698 0.40706 6.71642
37 5HVJ ANP 0.02357 0.41496 6.96203
38 5F90 LMR 0.02049 0.42173 7.05128
39 5F90 GLA GAL 0.04226 0.40255 7.05128
40 4MPO AMP 0.01002 0.42819 7.18954
41 4AZT LY2 0.001035 0.4739 7.59494
42 1MRH FMC 0.007456 0.44029 7.59494
43 3I5C C2E 0.04031 0.40368 7.59494
44 4X5S AZM 0.03879 0.40153 7.59494
45 2OX9 GAL NAG FUC 0.01299 0.42204 7.85714
46 1S20 TLA 0.01722 0.4305 8.22785
47 4JLS 3ZE 0.04206 0.4012 8.55263
48 5KTI TRE 6X6 0.01324 0.42259 8.72483
49 2D3Y DU 0.004741 0.47105 9.49367
50 1XK5 TPG 0.04161 0.40243 10.1266
51 4Q5H ANP 0.01437 0.40219 11.3924
52 2QES ADE 0.001339 0.4828 13.9241
53 1HFE CYS 0.02585 0.41586 13.9241
54 4WOE ADP 0.02687 0.41315 15.1899
55 4Y8D 49J 0.03841 0.40247 16.4557
56 4JGP PYR 0.02838 0.41144 18.3544
57 3KU0 ADE 0.0005851 0.50001 24.6835
58 4PZV J1D 0.00000000002656 0.74946 48.1013
Pocket No.: 2; Query (leader) PDB : 1TMM; Ligand: APC; Similar sites found: 59
This union binding pocket(no: 2) in the query (biounit: 1tmm.bio2) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4QPW XYP XYP XYP 0.006773 0.42383 None
2 1G1T SIA GAL MAG FUC 0.03049 0.41159 None
3 3LQV ADE 0.03453 0.40448 1.73913
4 4ZES MMA 0.004723 0.43625 2.04082
5 3P7G MAN 0.008186 0.4302 2.05479
6 1Z0N BCD 0.02587 0.40865 2.08333
7 3QDU CBS CBS 0.03035 0.41177 2.0979
8 1J1R ADE 0.002618 0.46767 2.53165
9 2GQS ADP 0.002871 0.43972 2.53165
10 1LPD ADE 0.01774 0.41326 2.53165
11 2MSB NAG BMA MAN MAN MAN MAN MAN 0.01646 0.42611 2.6087
12 1RDL MMA 0.002615 0.45406 2.65487
13 3WH2 FLC 0.003532 0.45361 2.72109
14 1JZN BGC GAL 0.004814 0.46229 2.96296
15 2OFE NAG 0.0166 0.42514 3.52113
16 4Z2S NDG 0.0173 0.4241 3.52113
17 4Z2S NAG 0.0173 0.4241 3.52113
18 2OFD NGA 0.02774 0.41162 3.52113
19 1QCI ADE 0.01449 0.41772 3.79747
20 1PWB GLC 0.002521 0.41383 3.79747
21 3ML5 AZM 0.03275 0.40846 3.79747
22 1T9M FMN 0.0136 0.4046 3.79747
23 5KO1 6UY 0.01981 0.4002 3.79747
24 4YJK URA 0.03273 0.40789 4.43038
25 3LE7 ADE 0.006476 0.44445 5.06329
26 5DA3 58V 0.007232 0.43295 5.06329
27 1YQC GLV 0.008437 0.42711 5.06329
28 2ZL7 FUC GAL NGA 0.01676 0.42522 5.06329
29 3BFV ADP 0.031 0.40094 5.06329
30 1DKU AP2 0.034 0.41532 5.6962
31 3Q60 ATP 0.01516 0.4057 5.6962
32 2PUL ACP 0.01746 0.40279 5.6962
33 4CS9 AMP 0.004796 0.45636 6.32911
34 2BKK ADP 0.004018 0.43287 6.32911
35 3X01 AMP 0.01693 0.42409 6.32911
36 4WQQ MAN 0.02215 0.41538 6.38298
37 5T7I LAT NAG GAL 0.03729 0.40646 6.45161
38 4KZV TRE 0.0283 0.40706 6.71642
39 5HVJ ANP 0.02481 0.41496 6.96203
40 5F90 LMR 0.02151 0.42173 7.05128
41 5F90 GLA GAL 0.04431 0.40255 7.05128
42 4MPO AMP 0.01052 0.42819 7.18954
43 4AZT LY2 0.00111 0.4739 7.59494
44 1MRH FMC 0.007644 0.44108 7.59494
45 4X5S AZM 0.04074 0.40153 7.59494
46 2OX9 GAL NAG FUC 0.01364 0.42204 7.85714
47 1S20 TLA 0.01803 0.4305 8.22785
48 4JLS 3ZE 0.04422 0.4012 8.55263
49 5KTI TRE 6X6 0.01394 0.42259 8.72483
50 2D3Y DU 0.004985 0.47105 9.49367
51 1XK5 TPG 0.04244 0.40307 10.1266
52 4Q5H ANP 0.01533 0.40219 11.3924
53 2QES ADE 0.001538 0.48114 13.9241
54 1HFE CYS 0.0272 0.41586 13.9241
55 4WOE ADP 0.02831 0.41315 15.1899
56 4Y8D 49J 0.04045 0.40247 16.4557
57 4JGP PYR 0.02989 0.41144 18.3544
58 3KU0 ADE 0.0006231 0.50001 24.6835
59 4PZV J1D 0.00000000003136 0.74946 48.1013
Pocket No.: 3; Query (leader) PDB : 1TMM; Ligand: APC; Similar sites found: 21
This union binding pocket(no: 3) in the query (biounit: 1tmm.bio1) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1K9J NAG MAN MAN MAN NAG 0.01771 0.41741 None
2 1SL4 MAN MAN MAN MAN 0.01678 0.41156 None
3 3VYK MMA MAN NAG MAN NAG NAG 0.04379 0.40806 None
4 4LCN GNG 0.02411 0.41061 1.26582
5 3I0O ADP 0.03006 0.40926 1.89873
6 3ALT MLB 0.01227 0.42904 2.54777
7 5C79 PBU 0.02184 0.4265 2.66667
8 5D9G GLU ASN LEU TYR PHE GLN 0.04876 0.40174 3.16456
9 4FFG 0U8 0.03351 0.41164 3.79747
10 5I35 ANP 0.01835 0.40968 3.79747
11 4LRJ ANP 0.02146 0.40637 4.43038
12 3HQP FDP 0.04208 0.40161 4.43038
13 2GPT TLA 0.0356 0.41365 5.06329
14 1JPA ANP 0.03702 0.41465 5.6962
15 4KBA 1QM 0.04791 0.40215 7.59494
16 1N13 AG2 0.04872 0.40758 14.1593
17 2QQC AG2 0.03733 0.41436 14.2857
18 1W2D ADP 0.01979 0.41871 18.3544
19 1TZD ADP 0.04958 0.40166 18.3544
20 4FOU C2E 0.03524 0.40219 20.5128
21 2ZV2 609 0.04188 0.40172 25.9494
Pocket No.: 4; Query (leader) PDB : 1TMM; Ligand: HHR; Similar sites found: 23
This union binding pocket(no: 4) in the query (biounit: 1tmm.bio1) has 36 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1K9J NAG MAN MAN MAN NAG 0.0169 0.41741 None
2 1SL4 MAN MAN MAN MAN 0.01588 0.41168 None
3 3VYK MMA MAN NAG MAN NAG NAG 0.04204 0.40806 None
4 3UB7 ACM 0.04885 0.40531 None
5 4LCN GNG 0.02302 0.41061 1.26582
6 3I0O ADP 0.02876 0.40926 1.89873
7 5C79 PBU 0.02096 0.4265 2.66667
8 5D9G GLU ASN LEU TYR PHE GLN 0.04973 0.40031 3.16456
9 4FFG 0U8 0.03233 0.41164 3.79747
10 5I35 ANP 0.01747 0.40968 3.79747
11 4LRJ ANP 0.02045 0.40637 4.43038
12 3HQP FDP 0.04032 0.40161 4.43038
13 2GPT TLA 0.0342 0.41365 5.06329
14 4GYI ADP 0.03531 0.40117 5.06329
15 1JPA ANP 0.03577 0.41465 5.6962
16 4NTM 2K8 0.04042 0.40155 7.43802
17 4KBA 1QM 0.04597 0.40215 7.59494
18 1N13 AG2 0.03476 0.41529 14.1593
19 2QQC AG2 0.03756 0.41327 14.2857
20 1W2D ADP 0.01891 0.41871 18.3544
21 1TZD ADP 0.04778 0.40166 18.3544
22 4FOU C2E 0.03371 0.40219 20.5128
23 2ZV2 609 0.03532 0.40461 25.9494
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