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Receptor
PDB id Resolution Class Description Source Keywords
1A99 2.2 Å NON-ENZYME: BINDING PUTRESCINE RECEPTOR (POTF) FROM E. COLI ESCHERICHIA COLI BINDING PROTEIN TRANSPORT PERIPLASMIC PUTRESCINE BINDING PROTEIN (POTF)
Ref.: CRYSTAL STRUCTURE AND MUTATIONAL ANALYSIS OF THE ESCHERICHIA COLI PUTRESCINE RECEPTOR. STRUCTURAL BASIS FOR SUBSTRATE SPECIFICITY. J.BIOL.CHEM. V. 273 17604 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PUT A:371;
B:371;
C:371;
D:371;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Kd = 2 uM
88.151 C4 H12 N2 C(CCN...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1A99 2.2 Å NON-ENZYME: BINDING PUTRESCINE RECEPTOR (POTF) FROM E. COLI ESCHERICHIA COLI BINDING PROTEIN TRANSPORT PERIPLASMIC PUTRESCINE BINDING PROTEIN (POTF)
Ref.: CRYSTAL STRUCTURE AND MUTATIONAL ANALYSIS OF THE ESCHERICHIA COLI PUTRESCINE RECEPTOR. STRUCTURAL BASIS FOR SUBSTRATE SPECIFICITY. J.BIOL.CHEM. V. 273 17604 1998
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 1A99 Kd = 2 uM PUT C4 H12 N2 C(CCN)CN
2 4JDF Kd = 6.4 mM SPD C7 H19 N3 C(CCNCCCN)....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 175 families.
1 1A99 Kd = 2 uM PUT C4 H12 N2 C(CCN)CN
2 4JDF Kd = 6.4 mM SPD C7 H19 N3 C(CCNCCCN)....
3 3TTN Kd = 14.3 nM SPD C7 H19 N3 C(CCNCCCN)....
4 3TTM Kd = 3 nM PUT C4 H12 N2 C(CCN)CN
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 149 families.
1 1A99 Kd = 2 uM PUT C4 H12 N2 C(CCN)CN
2 4JDF Kd = 6.4 mM SPD C7 H19 N3 C(CCNCCCN)....
3 3TTN Kd = 14.3 nM SPD C7 H19 N3 C(CCNCCCN)....
4 3TTM Kd = 3 nM PUT C4 H12 N2 C(CCN)CN
5 1POT Kd = 3.2 uM SPD C7 H19 N3 C(CCNCCCN)....
6 1POY Kd = 3.2 uM SPD C7 H19 N3 C(CCNCCCN)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PUT; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 PUT 1 1
2 13D 0.666667 0.8
3 N2P 0.636364 0.947368
4 16D 0.636364 0.9
5 DIA 0.583333 0.9
6 AML 0.5 0.652174
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1A99; Ligand: PUT; Similar sites found with APoc: 132
This union binding pocket(no: 1) in the query (biounit: 1a99.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 1GZ4 ATP 1.45349
2 2FNU PMP UD1 1.74419
3 1HKK NAA NAA AMI 1.74419
4 1GDE GLU PLP 1.74419
5 1J0D 5PA 1.75953
6 2DBZ NAP 1.79641
7 2BGM NAJ 1.79856
8 4NBU CAA 2
9 1XJD STU 2.03488
10 1IY8 NAD 2.24719
11 5VGR GDP 2.32558
12 3GFB NAD 2.32558
13 1PJS NAD 2.32558
14 2ZPT A3P 2.37288
15 3SVL FMN 2.59067
16 4UAL 3FV 2.61628
17 2ZJ1 NAD 2.61628
18 1KEW TYD 2.61628
19 2ZJ1 ARJ 2.61628
20 2ZWA SAH 2.61628
21 1HV9 UD1 2.61628
22 4IY7 KOU 2.61628
23 2DKN NAI 2.7451
24 3ORF NAD 2.78884
25 4D42 NAP 2.83688
26 4D42 W0I 2.83688
27 3QXC ATP 2.89256
28 2AMV BIN 2.90698
29 6AMI TRP 2.90698
30 5X8I SQZ 2.90698
31 1GQ2 NAP 2.90698
32 4XQC NAD 2.90698
33 4XQC 13D 2.90698
34 6G33 5ID 2.94985
35 1XE7 GUN 2.95567
36 4GLL NAD 2.96736
37 3VZS CAA 3.11284
38 3VZS NAP 3.11284
39 1BW9 NAD 3.19767
40 3VP6 HLD 3.19767
41 1RM0 NAI 3.48837
42 5AWQ GLC GLC GLC 3.48837
43 3ZV6 NAD 3.55872
44 1DAK ADP 3.57143
45 1DAK DPU 3.57143
46 3TXO 07U 3.77907
47 2UXR ICT 3.77907
48 1N1G BCP 3.77907
49 2FFU UDP 3.77907
50 1XIM XYL 3.77907
51 1M5B BN1 3.80228
52 3JQ9 NAP 3.81944
53 3JQB NAP 3.81944
54 3JQG NAP 3.81944
55 3JQ7 NAP 3.81944
56 3JQA NAP 3.81944
57 5JDC NAP 3.81944
58 4CM4 NAP 3.81944
59 5JCJ NAP 3.81944
60 3JQ8 NAP 3.81944
61 4CM8 NAP 3.81944
62 4CMI NAP 3.81944
63 4NBW NAD 3.89105
64 4E5N NAD 3.93939
65 3R7F CP 3.94737
66 4BJH PAL 4.03727
67 4MO4 ACP 4.06977
68 3MGB PAP 4.07523
69 2WD7 NAP 4.10448
70 4TUO SIA GAL SIA GLC NGA 4.20561
71 1E3W NAD 4.21456
72 1CER NAD 4.22961
73 1E6W NAD 4.23077
74 3OJF IMJ 4.28016
75 1MXH NAP 4.34783
76 1MXH DHF 4.34783
77 2B9F ADP 4.36047
78 2B9J ADP 4.36047
79 5V2J UDP 4.36047
80 5V2J 7WV 4.36047
81 3G5N PB2 4.36047
82 4GE6 B26 4.4586
83 3RFV NAI 4.49438
84 1ORR NAD 4.65116
85 2GMV PEP 4.65116
86 4Q9N 0WE 4.69799
87 3VX3 ADP 4.83871
88 4PFW MAN MAN BMA BMA BMA BMA 4.94186
89 1MI3 NAD 4.96894
90 3KO8 NAD 5.12821
91 5DJH AMP 5.20833
92 5HES 032 5.21173
93 5AJP UDP 5.23256
94 5NDF UDP 5.23256
95 6CMJ F6J 5.29595
96 5GWT SIN 5.39568
97 5GWT NAD 5.39568
98 2C6Q NDP 5.52326
99 1W6U NAP 5.62914
100 2H04 4UN 5.7508
101 1P3D ANP 5.81395
102 3W6G FLC 6.01852
103 1V0O INR 6.25
104 2H29 DND 6.34921
105 1U7T TDT 6.89655
106 2GC0 PAN 6.91489
107 1SJD NPG 6.97674
108 2HI4 BHF 6.97674
109 4Y8D 49J 7.14286
110 1OMO NAD 7.45342
111 5FB3 NDP 7.69231
112 1UU1 PMP HSA 8.0597
113 4ZU4 4TG 8.10811
114 1X8J A3P 8.13953
115 3L9R L9Q 8.16327
116 5M67 3D1 8.72093
117 5M67 NAD 8.72093
118 1FFU FAD 9.01163
119 5HQ0 LZ9 9.52381
120 4ZGS NAD 9.88372
121 1ZEM NAD 9.92366
122 1XPM CAA 10.3535
123 3OIG IMJ 10.5263
124 3RJ5 NAD 11.4173
125 3LU1 NAD 11.5385
126 4JEM C5P 11.7647
127 1HDC CBO 14.5669
128 1VJY 460 15.1815
129 5Y80 IRE 15.5405
130 6HLY G9Z 17.0088
131 4R5Z PMP 21.2534
132 4EUO ABU 33.125
Pocket No.: 2; Query (leader) PDB : 1A99; Ligand: PUT; Similar sites found with APoc: 161
This union binding pocket(no: 2) in the query (biounit: 1a99.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 3ZS9 ADP ALF 1.45349
2 1NYT NAP 1.47601
3 3E4O SIN 1.63934
4 1HKU NAD 1.67598
5 4J7U NAP 1.73611
6 4J7U YTZ 1.73611
7 2C1X UDP 1.74419
8 1TV5 FMN 1.74419
9 5A1T OXM 1.75953
10 5A1T NAI 1.75953
11 5AOV NAP 1.78571
12 4O4K 2PK 1.78571
13 4NBU NAI 2
14 6DNT NAD 2.03488
15 2CDC NAP 2.03488
16 2CDC XYP 2.03488
17 2CDC XYS 2.03488
18 3ABI NAD 2.03488
19 3KB6 NAD 2.09581
20 5NUE NAD 2.10843
21 1EZ4 NAD 2.20126
22 5QIN J2V 2.21519
23 1EKX PAL 2.2508
24 5WO4 B7V 2.31788
25 3QVV 3QV 2.37288
26 3QVV A3P 2.37288
27 1CF2 NAP 2.37389
28 1KYQ NAD 2.55474
29 5Z20 NAI 2.61628
30 2PVN P63 2.61628
31 4JR7 GNP 2.61628
32 3CZ7 ACO 2.61628
33 5JE8 NAD 2.64901
34 3BY9 SIN 2.69231
35 2OM2 GDP 2.76923
36 1Z45 NAD 2.90698
37 6AM8 PLT 2.90698
38 4BVA NDP 2.98507
39 2PZM UDP 3.0303
40 2PZM NAD 3.0303
41 1ZTH ADP 3.10078
42 3RE4 TO1 3.10078
43 1LTH NAD 3.1348
44 6ES0 BW8 3.15457
45 2VAR KDG 3.19489
46 2VAR KDF 3.19489
47 4Y1B NAP 3.19767
48 1RE8 BD2 3.19767
49 1C1X NAD 3.19767
50 2GU8 796 3.2641
51 4Z0H NAD 3.29341
52 5CEO 50D 3.33333
53 3VRY B43 3.48837
54 3VHE 42Q 3.48837
55 4X7Q 3YR 3.48837
56 6F3M NAD 3.48837
57 5YU3 PRO 3.48837
58 5YU3 NAD 3.48837
59 4ASE AV9 3.48837
60 2VHW NAI 3.48837
61 2DFV NAD 3.48837
62 2YIC TPP 3.48837
63 3ZV6 4HB 3.55872
64 4L8V NAP 3.56083
65 4REL KMP 3.77907
66 2C42 PYR 3.77907
67 2C42 TPP 3.77907
68 2X06 NAD 3.77907
69 3MKN DNB 3.79747
70 4AG8 AXI 3.79747
71 3JQF NAP 3.81944
72 3BMQ NAP 3.81944
73 5K6A NAP 3.81944
74 5JDI NAP 3.81944
75 3GGO NAI 3.82166
76 1QG6 NAD 3.83142
77 1QG6 TCL 3.83142
78 4ZRN UPG 3.84615
79 1HYH NAD 3.8835
80 3SRV S19 3.97112
81 5UIU 8CG 4.02477
82 3BFX A3P 4.05405
83 1XLI GLT 4.06977
84 4Z87 5GP 4.06977
85 1ZPD DPX 4.06977
86 5CPR SAM 4.10448
87 2VZ0 D64 4.10448
88 2VZ0 NAP 4.10448
89 2B9H ADP 4.36047
90 2B9I ADP 4.36047
91 3DR4 G4M 4.36047
92 3CIF G3H 4.36047
93 3CIF NAD 4.36047
94 1SC6 NAD 4.36047
95 5K4W THR 4.36137
96 5K4W NAI 4.36137
97 6F3G CJN 4.40678
98 3O9Z AKG 4.48718
99 1NHX FTB 4.65116
100 1NHX PEP 4.65116
101 5DN9 NAD 4.65116
102 1GQY ACP 4.65116
103 5WS9 AMP 4.65116
104 3L9W AMP 4.65116
105 5AHM IMP 4.75
106 2YY7 NAD 4.80769
107 1GA8 DEL 4.82315
108 1GA8 UPF 4.82315
109 3OND NAD 4.94186
110 3OND ADN 4.94186
111 3MKK GLC BGC 4.94186
112 2BEK ATP 5.05837
113 4PFT MAB 5.23256
114 5NDF LU2 5.23256
115 5W19 9TD 5.23256
116 1W8D NAP 5.29801
117 1W73 NAP 5.29801
118 2C6Q IMP 5.52326
119 1RM4 NDP 5.63798
120 2ZV2 609 5.7047
121 3LGG CFE 5.81395
122 2V2V V12 5.90406
123 1JNR FAD 6
124 3HRD FAD 6.08108
125 4RQU NAD 6.10465
126 2DC1 NAD 6.35593
127 1SB8 NAD 6.39535
128 1SB8 UD2 6.39535
129 4YWV SSN 6.39535
130 5CFQ 1SY 6.41711
131 2IXB NAD 6.68605
132 2IXB A2G 6.68605
133 1U7T NAD 6.89655
134 2NU8 COA 6.97674
135 6F9Q NAD 6.98529
136 3PTG 932 7.55814
137 4B7X NAP 8.03571
138 3IP8 B85 8.06452
139 5ZZ6 NAD 8.17308
140 6BII NAP 8.40841
141 5JSJ 6PD 8.55856
142 2BPM 529 8.67924
143 5M67 ADE 8.72093
144 4BCM T7Z 8.77863
145 2EWM NAD 8.83534
146 1UDB NAD 9.1716
147 1UDB UFG 9.1716
148 1V8B NAD 9.30233
149 3V1Y NAD 9.79228
150 5B3A 0JO 9.88372
151 4F9C 0SX 10.4167
152 1N62 FAD 10.8434
153 3FRK TQP 11.3372
154 3DBX PLM 12.1212
155 2A19 ANP 13.1429
156 2VUT NAD 13.9535
157 5ZCT ANP 14.3791
158 3VPB ADP 17.0213
159 5G5G FAD 18.7773
160 5OYH T99 23.3161
161 4KXQ APR 33.3333
Pocket No.: 3; Query (leader) PDB : 1A99; Ligand: PUT; Similar sites found with APoc: 25
This union binding pocket(no: 3) in the query (biounit: 1a99.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 5MEX SZZ 1.5528
2 5MEX PAP 1.5528
3 1H74 ILE 2.02703
4 1BXK NAD 2.03488
5 1OZH HE3 2.32558
6 4HXY NDP 2.32558
7 4U0W 16G 2.43902
8 1V2G OCA 2.63158
9 1FK8 NAD 2.72374
10 4URG C2E 2.99401
11 4FE2 AIR 3.13725
12 3B1J NAD 3.24484
13 6F3M ADN 3.48837
14 3GGO ENO 3.82166
15 2WSB NAD 3.93701
16 1X7D NAD 4.36047
17 5KJK SAM 4.65116
18 5KJK 6T1 4.65116
19 3BK2 U5P 4.94186
20 2ZBA COA 6.10465
21 5N0L ILE 6.28931
22 5AVF TAU 8.17121
23 4J7Q B7N 8.40841
24 1XPM HMG 10.3535
25 1XPK HMG 10.567
Pocket No.: 4; Query (leader) PDB : 1A99; Ligand: PUT; Similar sites found with APoc: 19
This union binding pocket(no: 4) in the query (biounit: 1a99.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 1I2B UPG 1.45349
2 1I2B NAD 1.45349
3 1I2B USQ 1.45349
4 1F6D UDP 2.65957
5 1RP0 AHZ 3.16901
6 1BXG NAD 3.19767
7 1SJN DUP 4.11765
8 1O6Z NAD 4.29043
9 2JJK R15 4.43787
10 2WT9 NIO 4.68085
11 2Q46 NAP 5.5336
12 1BDB NAD 5.77617
13 5Y1G AKB 6.09756
14 5Y1G NAD 6.09756
15 4MOB COA 8.43373
16 3QP8 HL0 8.69565
17 4LY9 S6P 9.01163
18 2BD0 NAP 9.83607
19 1VKO NAD 16.2791
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