Receptor
PDB id Resolution Class Description Source Keywords
1EX8 1.85 Å EC: 2.7.6.3 CRYSTAL STRUCTURE OF 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE COMPLEXED WITH HP4A, THE TWO-SUBSTRATE- M IMICKING INHIBITOR ESCHERICHIA COLI PYROPHOSPHOKINASE PYROPHOSPHORYL TRANSFER FOLATE HPPK PTERIN ATP BISUBSTRATE-MIMICKING INHIBITOR ANTIMICROBIALAGENT DRUG DESIGN SUBSTRATE SPECIFICITY ACTIVE-SITE ARCHITECTURE X-RAY CRYSTALLOGRAPHY TRANSFERASE
Ref.: BISUBSTRATE ANALOGUE INHIBITORS OF 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE: SYNTHESIS AND BIOCHEMICAL AND CRYSTALLOGRAPHIC STUDIES. J.MED.CHEM. V. 44 1364 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:162;
 Invalid;
 none;
 submit data
35.453 Cl [Cl-]
A4P A:171;
 Valid;
 none;
 Kd = 0.47 uM
764.324 C17 H24 N10 O17 P4 c1nc(...
MG A:161;
 Invalid;
 none;
 submit data
24.305 Mg [Mg+2...
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: A4P; Similar ligands found: 258
No: Ligand ECFP6 Tc MDL keys Tc
1 A4P 1 1
2 B4P 0.670103 0.843373
3 AP5 0.670103 0.843373
4 BA3 0.659794 0.843373
5 5FA 0.643564 0.843373
6 AQP 0.643564 0.843373
7 ATP 0.633663 0.843373
8 HEJ 0.633663 0.843373
9 G5P 0.626087 0.892857
10 A2D 0.622449 0.843373
11 GTA 0.62069 0.862069
12 G3A 0.617391 0.892857
13 SAP 0.605769 0.804598
14 AGS 0.605769 0.804598
15 ADP 0.60396 0.843373
16 ANP 0.59434 0.823529
17 T5A 0.593496 0.842697
18 UP5 0.591667 0.869048
19 A3R 0.585586 0.837209
20 AN2 0.582524 0.833333
21 AT4 0.582524 0.813953
22 APR 0.580952 0.821429
23 AR6 0.580952 0.821429
24 ACQ 0.579439 0.823529
25 6YZ 0.577982 0.823529
26 M33 0.576923 0.811765
27 AD9 0.575472 0.823529
28 ACP 0.571429 0.823529
29 ADQ 0.557522 0.845238
30 A1R 0.557522 0.837209
31 ATF 0.554545 0.813953
32 PRX 0.551402 0.761364
33 TAT 0.550459 0.813953
34 T99 0.550459 0.813953
35 CA0 0.54717 0.823529
36 ADX 0.54717 0.75
37 25L 0.547009 0.855422
38 HQG 0.544643 0.833333
39 A 0.544554 0.819277
40 AMP 0.544554 0.819277
41 139 0.543307 0.872093
42 50T 0.542056 0.811765
43 KG4 0.542056 0.823529
44 A22 0.539823 0.855422
45 OAD 0.534483 0.823529
46 4TC 0.531746 0.848837
47 ABM 0.528846 0.77907
48 45A 0.528846 0.77907
49 3OD 0.525424 0.823529
50 APC 0.522936 0.813953
51 5SV 0.521739 0.728261
52 9X8 0.521368 0.784091
53 A12 0.518868 0.813953
54 AP2 0.518868 0.813953
55 5AL 0.517857 0.811765
56 8LE 0.517857 0.784091
57 PR8 0.516949 0.808989
58 8LQ 0.513043 0.793103
59 BIS 0.512605 0.795455
60 TXE 0.511811 0.880952
61 SRA 0.509615 0.781609
62 ADP MG 0.509259 0.797619
63 SRP 0.508772 0.835294
64 8LH 0.508772 0.813953
65 8QN 0.508621 0.811765
66 OZV 0.508621 0.821429
67 AU1 0.504587 0.823529
68 APC MG 0.504505 0.77907
69 4AD 0.504274 0.825581
70 PAJ 0.504274 0.797753
71 6V0 0.503937 0.892857
72 NAX 0.503937 0.872093
73 1ZZ 0.5 0.741935
74 MAP 0.5 0.804598
75 00A 0.5 0.795455
76 DLL 0.5 0.833333
77 TXA 0.5 0.813953
78 AHX 0.5 0.827586
79 4UU 0.496 0.847059
80 3UK 0.495798 0.823529
81 OOB 0.495726 0.833333
82 25A 0.495726 0.843373
83 GAP 0.495575 0.823529
84 SON 0.495413 0.813953
85 2PH 0.49505 0.783133
86 CNA 0.492424 0.857143
87 NXX 0.492188 0.835294
88 NAI 0.492188 0.880952
89 TXD 0.492188 0.858824
90 DND 0.492188 0.835294
91 4UV 0.491935 0.847059
92 WAQ 0.491667 0.775281
93 AMO 0.491525 0.835294
94 RBY 0.491071 0.793103
95 ADV 0.491071 0.793103
96 ADP PO3 0.491071 0.797619
97 ATP MG 0.491071 0.797619
98 OMR 0.488372 0.752688
99 NB8 0.487603 0.806818
100 ADJ 0.484848 0.831461
101 UPA 0.484615 0.880952
102 AP0 0.484615 0.848837
103 48N 0.484375 0.827586
104 AFH 0.484127 0.797753
105 4UW 0.48062 0.818182
106 DQV 0.480315 0.855422
107 B5V 0.479339 0.813953
108 LAD 0.479339 0.818182
109 ITT 0.477477 0.797619
110 7D4 0.477477 0.790698
111 LAQ 0.476562 0.741935
112 B5Y 0.475806 0.804598
113 ME8 0.47541 0.76087
114 PTJ 0.47541 0.786517
115 FYA 0.47541 0.811765
116 DAL AMP 0.474576 0.790698
117 ALF ADP 0.474138 0.744444
118 ADP ALF 0.474138 0.744444
119 4TA 0.474074 0.811111
120 5AS 0.472727 0.71134
121 XAH 0.472 0.8
122 LMS 0.471698 0.712766
123 9ZA 0.470588 0.795455
124 9ZD 0.470588 0.795455
125 ADP VO4 0.470085 0.790698
126 VO4 ADP 0.470085 0.790698
127 2A5 0.469027 0.802326
128 9SN 0.467742 0.786517
129 80F 0.467153 0.842697
130 F2R 0.466667 0.885057
131 FA5 0.464 0.835294
132 B5M 0.464 0.804598
133 YAP 0.464 0.825581
134 GA7 0.460938 0.813953
135 HFD 0.46087 0.804598
136 GP3 0.46087 0.892857
137 JSQ 0.46087 0.804598
138 SFD 0.456954 0.72549
139 3AT 0.456897 0.821429
140 NAD 0.452555 0.833333
141 BTX 0.452555 0.763441
142 PAP 0.452174 0.831325
143 ATR 0.452174 0.819277
144 EAD 0.451389 0.872093
145 BT5 0.449275 0.755319
146 MYR AMP 0.448 0.723404
147 ADP BMA 0.447154 0.823529
148 A3D 0.446043 0.823529
149 GTP 0.445378 0.869048
150 DTP 0.444444 0.790698
151 Z5A 0.444444 0.804348
152 IOT 0.444444 0.853933
153 TYM 0.443609 0.835294
154 A A 0.443548 0.821429
155 FB0 0.442953 0.770833
156 A G 0.442029 0.858824
157 COD 0.442029 0.776596
158 G A A A 0.442029 0.870588
159 7C5 0.44186 0.8
160 A2R 0.441667 0.833333
161 7D3 0.441441 0.790698
162 YLP 0.439394 0.782609
163 P1H 0.439189 0.852273
164 U A G G 0.438849 0.858824
165 ARG AMP 0.438462 0.852273
166 FAS 0.437909 0.831461
167 FAD 0.437909 0.831461
168 FDA 0.437086 0.876405
169 AOC 0.436364 0.717647
170 6FA 0.434211 0.822222
171 TYR AMP 0.434109 0.804598
172 6G0 0.433333 0.83908
173 U A 0.432624 0.858824
174 P5A 0.432 0.717172
175 AHZ 0.431818 0.723404
176 YLA 0.430657 0.802198
177 VMS 0.429752 0.701031
178 54H 0.429752 0.701031
179 ATP A A A 0.429688 0.809524
180 ATP A 0.429688 0.809524
181 YLC 0.42963 0.820225
182 YLB 0.42963 0.782609
183 LPA AMP 0.428571 0.723404
184 JB6 0.428571 0.775281
185 ZID 0.427586 0.823529
186 N0B 0.427586 0.822222
187 AYB 0.427536 0.774194
188 7MD 0.427481 0.820225
189 PUA 0.426573 0.860465
190 YLY 0.426573 0.774194
191 TSB 0.42623 0.726316
192 8X1 0.42623 0.72449
193 GSP 0.42623 0.829545
194 ADN 0.425743 0.73494
195 XYA 0.425743 0.73494
196 RAB 0.425743 0.73494
197 MGP 0.425 0.83908
198 TAD 0.424242 0.777778
199 FAY 0.424051 0.840909
200 NA7 0.424 0.813953
201 G5A 0.423729 0.747368
202 NAJ PZO 0.422535 0.827586
203 AF3 ADP 3PG 0.422222 0.73913
204 SSA 0.421488 0.747368
205 RFL 0.421384 0.804348
206 GDP 0.420168 0.869048
207 NSS 0.419355 0.729167
208 DSZ 0.419355 0.729167
209 NO7 0.418033 0.857143
210 FNK 0.417722 0.868132
211 5N5 0.417476 0.73494
212 6AD 0.416667 0.777778
213 AR6 AR6 0.416667 0.8
214 NVA LMS 0.416 0.69
215 ARU 0.416 0.758242
216 NDC 0.414474 0.786517
217 NAE 0.413793 0.804598
218 A4D 0.413462 0.714286
219 5CD 0.413462 0.682353
220 AV2 0.413223 0.77907
221 A5A 0.413223 0.715789
222 LEU LMS 0.412698 0.69
223 A3P 0.412281 0.819277
224 GTG 0.412214 0.862069
225 AMP DBH 0.412214 0.781609
226 AVV 0.41129 0.766667
227 NAQ 0.410959 0.786517
228 DAT 0.410256 0.790698
229 H1Q 0.410256 0.767442
230 3AM 0.409091 0.807229
231 7MC 0.408759 0.802198
232 J1D 0.408451 0.78
233 DZD 0.408451 0.818182
234 DDS 0.408333 0.767442
235 MTA 0.407407 0.659091
236 G1R 0.406504 0.858824
237 52H 0.406504 0.693878
238 GCP 0.406504 0.848837
239 9K8 0.40625 0.656863
240 GNH 0.404959 0.858824
241 PPS 0.404959 0.75
242 GDD 0.40458 0.882353
243 GDC 0.40458 0.882353
244 GKE 0.40458 0.882353
245 7D5 0.40367 0.767442
246 5CA 0.403226 0.747368
247 9GM 0.403226 0.848837
248 GNP 0.403226 0.848837
249 53H 0.403226 0.693878
250 EP4 0.401869 0.662921
251 AMP NAD 0.401408 0.811765
252 0WD 0.401408 0.892857
253 NAJ PYZ 0.401361 0.791209
254 MAO 0.4 0.691489
255 A2P 0.4 0.807229
256 NPW 0.4 0.883721
257 J1C 0.4 0.791667
258 3DH 0.4 0.659091
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1TMM; Ligand: HHR; 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: 1tmm.bio2) has 29 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1TMM; Ligand: APC; 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: 1tmm.bio2) has 30 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1TMM; Ligand: APC; 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: 1tmm.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1TMM; Ligand: HHR; 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: 1tmm.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
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