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Receptor
PDB id Resolution Class Description Source Keywords
5O3Q 1.75 Å NON-ENZYME: OTHER CARBON REGULATORY PII-LIKE PROTEIN SBTB FROM SYNECHOCYSTIS S COMPLEX WITH CYCLIC AMP (CAMP) SYNECHOCYSTIS SP. (STRAIN PCC 6803 / KORGANISM_TAXID: 1111708 SBTB CARBON SENSING PII-LIKE CYANOBACTERIA SIGNALING PRO
Ref.: PII-LIKE SIGNALING PROTEIN SBTB LINKS CAMP SENSING CYANOBACTERIAL INORGANIC CARBON RESPONSE. PROC. NATL. ACAD. SCI. V. 115 E4861 2018 U.S.A.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CMP B:202;
B:201;
A:200;
Valid;
Valid;
Valid;
none;
none;
none;
Kd = 11 uM
329.206 C10 H12 N5 O6 P c1nc(...
BCT C:201;
Invalid;
none;
submit data
61.017 C H O3 C(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5O3Q 1.75 Å NON-ENZYME: OTHER CARBON REGULATORY PII-LIKE PROTEIN SBTB FROM SYNECHOCYSTIS S COMPLEX WITH CYCLIC AMP (CAMP) SYNECHOCYSTIS SP. (STRAIN PCC 6803 / KORGANISM_TAXID: 1111708 SBTB CARBON SENSING PII-LIKE CYANOBACTERIA SIGNALING PRO
Ref.: PII-LIKE SIGNALING PROTEIN SBTB LINKS CAMP SENSING CYANOBACTERIAL INORGANIC CARBON RESPONSE. PROC. NATL. ACAD. SCI. V. 115 E4861 2018 U.S.A.
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 5O3R Kd = 70.4 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
2 5O3Q Kd = 11 uM CMP C10 H12 N5 O6 P c1nc(c2c(n....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 5O3R Kd = 70.4 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
2 5O3Q Kd = 11 uM CMP C10 H12 N5 O6 P c1nc(c2c(n....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 5O3R Kd = 70.4 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
2 5O3Q Kd = 11 uM CMP C10 H12 N5 O6 P c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CMP; Similar ligands found: 93
No: Ligand ECFP6 Tc MDL keys Tc
1 2BA 1 0.984848
2 CMP 1 1
3 RP1 0.757143 0.928571
4 SP1 0.757143 0.928571
5 1YD 0.727273 0.902778
6 4BW 0.727273 0.902778
7 1SY 0.653061 0.902778
8 1OR 0.635294 0.807692
9 4UR 0.626263 0.902778
10 7CH 0.580247 0.984615
11 6SX 0.573171 0.953846
12 6SZ 0.559524 0.984848
13 N6R 0.535354 0.914286
14 N6S 0.535354 0.914286
15 PCG 0.534091 0.888889
16 35G 0.534091 0.888889
17 C2E 0.534091 0.902778
18 1YC 0.53 0.875
19 Y3J 0.506667 0.753623
20 XYA 0.5 0.826087
21 5CD 0.5 0.811594
22 ACK 0.5 0.897059
23 RAB 0.5 0.826087
24 ADN 0.5 0.826087
25 6SW 0.494382 0.9
26 5AD 0.493151 0.776119
27 5N5 0.486842 0.8
28 75G 0.483146 0.890411
29 A4D 0.480519 0.8
30 M2T 0.475 0.736842
31 MTA 0.469136 0.777778
32 CC5 0.466667 0.850746
33 EP4 0.4625 0.756757
34 DTA 0.45679 0.816901
35 QQX 0.452381 0.835616
36 LMS 0.447059 0.7875
37 AMP 0.447059 0.927536
38 QQY 0.447059 0.847222
39 A 0.447059 0.927536
40 3DH 0.440476 0.777778
41 3AM 0.435294 0.913043
42 A2D 0.431818 0.928571
43 J7C 0.431818 0.75
44 ABM 0.431818 0.901408
45 ZAS 0.430233 0.77027
46 7D7 0.428571 0.771429
47 S4M 0.426966 0.666667
48 SRA 0.425287 0.876712
49 6RE 0.425287 0.74026
50 3AD 0.425 0.838235
51 2AM 0.423529 0.9
52 BA3 0.422222 0.928571
53 A12 0.422222 0.864865
54 AP2 0.422222 0.864865
55 MAO 0.422222 0.740741
56 DSH 0.420455 0.727273
57 NEC 0.420455 0.726027
58 AOC 0.420455 0.802817
59 A3G 0.420455 0.780822
60 SFG 0.419355 0.753425
61 6JR 0.419048 0.927536
62 ADP 0.417582 0.901408
63 AP5 0.417582 0.928571
64 5AS 0.417582 0.741176
65 B4P 0.417582 0.928571
66 A3N 0.41573 0.767123
67 APC 0.414894 0.864865
68 AN2 0.413043 0.888889
69 SON 0.413043 0.864865
70 AT4 0.413043 0.864865
71 EEM 0.412371 0.691358
72 GJV 0.411111 0.730769
73 GGZ 0.41 0.78481
74 OVE 0.409091 0.863014
75 M33 0.408602 0.888889
76 ADX 0.408602 0.810127
77 AU1 0.408602 0.876712
78 CA0 0.408602 0.876712
79 A3P 0.406593 0.927536
80 5X8 0.404255 0.767123
81 ATP 0.404255 0.901408
82 ACP 0.404255 0.876712
83 HEJ 0.404255 0.901408
84 50T 0.404255 0.888889
85 ADP VO4 0.40404 0.888889
86 VO4 ADP 0.40404 0.888889
87 SAM 0.402062 0.691358
88 0UM 0.401961 0.7
89 AR6 0.4 0.901408
90 AQP 0.4 0.901408
91 5FA 0.4 0.901408
92 APR 0.4 0.901408
93 PRX 0.4 0.876712
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5O3Q; Ligand: CMP; Similar sites found with APoc: 227
This union binding pocket(no: 1) in the query (biounit: 5o3q.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 1V3S ATP None
2 2W58 ADP None
3 2VVG ADP None
4 1F9V ADP None
5 5G48 1FL None
6 4KFU ACP None
7 6FA4 D1W None
8 2XZ9 PYR None
9 1GXU 2HP None
10 5U32 GDP None
11 2IU8 PLM None
12 3KIF GDL None
13 1LNX URI None
14 1OS7 AKG None
15 1ONI BEZ None
16 2CI5 HCS None
17 3GUZ PAF None
18 1XX6 ADP None
19 3E70 GDP None
20 1UPR 4IP None
21 2HT6 GDP None
22 4BQS ADP None
23 2CJW GDP None
24 5F7J ADE None
25 3UW4 MAA CHG PRO 0DQ None
26 5FII PHE None
27 3P4X ADP 0.726392
28 5OCG 9R5 1.0582
29 6GNO XDI 1.66667
30 1BG2 ADP 1.66667
31 4QM7 GTP 1.66667
32 3DC4 ADP 1.66667
33 4P8K FAD 1.66667
34 4P8K 38C 1.66667
35 5CK5 GDP 1.66667
36 3AI3 SOE 1.66667
37 5GVR LMR 2.5
38 3AB1 FAD 2.5
39 2JLR ANP 2.5
40 1VMK GUN 2.5
41 3B6H MXD 2.5
42 1KUJ MMA 2.5
43 1XXR MAN 2.5
44 5KJW 53C 3.33333
45 3H4S ADP 3.33333
46 1RYD GLC 3.33333
47 4MOB ADP 3.33333
48 2PNC CLU 3.33333
49 6GNC FAD 3.33333
50 3BF1 PAU 3.33333
51 4EZD SEY 3.33333
52 2CH5 NAG 3.33333
53 2CH5 NDG 3.33333
54 1OHE ACE ALA SEP PRO 3.33333
55 4IP7 FLC 3.33333
56 1RZ1 NAD 3.33333
57 5OUH L0B 3.33333
58 3W5J GDP 3.33333
59 4BAE RWX 3.33333
60 2AWN ADP 4.16667
61 2VL1 GLY GLY 4.16667
62 5Y4R C2E 4.16667
63 1SBR VIB 4.16667
64 3COB ADP 4.16667
65 5XLY C2E 4.16667
66 1OFL NGK GCD 4.16667
67 5L2R MLA 4.16667
68 2Y65 ADP 4.16667
69 5TZO 7V7 4.16667
70 2GU8 796 4.16667
71 4L3L 5FI 4.16667
72 3JQ3 ADP 4.16667
73 5TVF CGQ 4.16667
74 1KC7 PPR 4.16667
75 2OFW ADX 4.16667
76 4XTX 590 4.16667
77 3OVR 5SP 4.16667
78 3MD0 GDP 4.16667
79 2OQ2 A3P 4.16667
80 5W8X UDP 4.16667
81 5FUI APY 5
82 4AG5 ADP 5
83 3IP6 PRO 5
84 1U0J ADP 5
85 3CV2 OXL 5
86 5N0O SAM 5
87 1Q11 TYE 5
88 4L8F MTX 5
89 1TT8 PHB 5
90 2GK6 ADP 5
91 4CJN QNZ 5
92 4C2C ALA ALA ALA 5
93 4L9Z OXL 5
94 4MIB 28M 5
95 5Y6N ADP 5
96 4PVR ASP 5
97 1SDW IYT 5
98 2XAU ADP 5
99 4Y24 TD2 5
100 5FLJ QUE 5
101 4J56 FAD 5.26316
102 2OG2 MLI 5.83333
103 1RRC ADP 5.83333
104 3SAO DBH 5.83333
105 2IVD ACJ 5.83333
106 4RF7 ARG 5.83333
107 3NKS ACJ 5.83333
108 5TV6 PML 5.83333
109 4UZI IMD 5.83333
110 1V1A ADP 5.83333
111 5HWV MBN 5.83333
112 4YRI 4JH 5.83333
113 1LSH PLD 5.83333
114 3A7R LAQ 5.83333
115 5O5Y GLC 5.83333
116 4CVN ADP 5.83942
117 1MFI FHC 6.14035
118 6H8S FSZ 6.66667
119 2NCD ADP 6.66667
120 1GPM AMP 6.66667
121 4JBL MET 6.66667
122 1LVG ADP 6.66667
123 2C49 ANP 6.66667
124 1YRB GDP 6.66667
125 1VRP ADP 6.66667
126 3UIE ANP 6.66667
127 4ZTD ALA GLY ALA GLY ALA 6.66667
128 2NV2 GLN 6.66667
129 3IB1 IMN 6.66667
130 3W6G FLC 6.66667
131 5WL1 CUY 7.07071
132 5WL1 D3D 7.07071
133 2GNK ATP 7.14286
134 3A16 PXO 7.5
135 1UYY BGC BGC 7.5
136 5ZXD ATP 7.5
137 3A06 FOM 7.5
138 1OXV ANP 7.5
139 2C6Q NDP 7.5
140 4WOE ADP 7.5
141 1HXD BTN 7.5
142 4FE2 AIR 7.5
143 2Q97 ATP 7.5
144 4B9E FAH 7.5
145 3IWD M2T 8.06452
146 2DPY ADP 8.33333
147 4IN9 SER TRP PHE PRO 8.33333
148 3ITJ FAD 8.33333
149 3TK1 GDP 8.33333
150 3IIJ ADP 8.33333
151 1JJV ATP 8.33333
152 2C78 PUL 8.33333
153 1XP8 AGS 8.33333
154 1VKF CIT 8.33333
155 2BLE 5GP 8.33333
156 2AGC DAO 8.33333
157 3ITJ CIT 8.33333
158 1QHG ATP 8.33333
159 4PKI ATP 8.33333
160 1G6H ADP 9.16667
161 2XG5 EC2 9.16667
162 2XG5 EC5 9.16667
163 1USF NAP 9.16667
164 5OFW 9TW 9.16667
165 5UKL SIX 9.16667
166 4YRY FAD 9.16667
167 4YRY NAD 9.16667
168 3KDN CAP 9.16667
169 1ELI PYC 10
170 2D24 XYS XYS 10
171 4B5W PYR 10
172 3RWP ABQ 10
173 3GJ5 GDP 10
174 3GJ3 GDP 10
175 1JJ7 ADP 10.8333
176 5YV5 ADP 10.8333
177 1YQT ADP 10.8333
178 2V7Q ADP 10.8333
179 3ZJX BOG 10.8333
180 4URN NOV 10.8333
181 1G51 AMP 11.6667
182 4U00 ADP 11.6667
183 3CBC DBS 11.6667
184 2D2F ADP 11.6667
185 4HZ0 1AV 11.6667
186 2POC UD1 11.6667
187 6C5F 7L9 11.9658
188 5X2N ALA 12.5
189 1D4D FAD 12.5
190 3A4M ADP 13.0769
191 1T5C ADP 13.3333
192 3RC3 ANP 13.3333
193 3TW1 AHN 13.3333
194 2V2G BEZ 13.3333
195 4Z87 GDP 13.3333
196 3ZO7 K6H 13.8298
197 2PBD ATP 13.9535
198 2XT3 ADP 14.1667
199 3QSB 743 14.1667
200 5YEE ATP 14.1667
201 1BW9 PPY 14.1667
202 1A5Z FBP 15
203 4XDA ADP 15
204 1BGV GLU 15
205 2WHX ADP 15.8333
206 4UP3 FAD 15.8333
207 4LC1 GDP 15.8333
208 5TSH ADP 16.6667
209 5TSH ANP 16.6667
210 3S5W NAP 16.6667
211 2KIN ADP 17
212 5TE1 7A2 17.5
213 4KBA 1QM 18.3333
214 4OE4 NAD 18.3333
215 3GJ7 GDP 18.3673
216 6E1Q CFA 19.1667
217 1GOJ ADP 20
218 5O74 GDP 20
219 2CJU PHX 21.6667
220 2ART LPA AMP 21.6667
221 5XDT ZI7 22.5
222 4FK7 P34 23.3333
223 4YMU ATP 23.3333
224 2JK0 ASP 24.1667
225 1I7M CG 25.3731
226 3ZIA ADP 26.6667
227 1B0U ATP 38.3333
Pocket No.: 2; Query (leader) PDB : 5O3Q; Ligand: CMP; Similar sites found with APoc: 59
This union binding pocket(no: 2) in the query (biounit: 5o3q.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 5CLO NS8 None
2 1QKQ MAN None
3 5A89 FMN None
4 1DCP HBI None
5 3GXW SIN None
6 1R37 NAD None
7 6EK3 OUL None
8 2VMG MBG 1.66667
9 1VBO MAN MAN MAN 1.66667
10 1PVS 7HP 1.66667
11 6GH9 MIX 2.5
12 5JIC N7E 2.5
13 5FPE 3TR 2.5
14 5CXX FER 2.5
15 5LY1 PPI 3.33333
16 1V9A SAH 3.33333
17 3KV8 FAH 4.16667
18 1TZD ADP 4.16667
19 5BVE 4VG 4.16667
20 2Z6J FMN 5
21 2O2C G6Q 5
22 4JYM KKN 5
23 2WET FAD 5
24 3B9Q MLI 5.83333
25 1K0E TRP 5.83333
26 2CFC KPC 5.83333
27 2IMP NAI 5.83333
28 3RNM FAD 5.83333
29 4NS3 NAD 5.83333
30 4ISS TAR 6.66667
31 3VKX T3 6.66667
32 1KGI T4A 6.66667
33 4BKS X6C 6.66667
34 3HEE R5P 6.66667
35 3PH4 AOS 6.66667
36 4JEJ 1GP 7.5
37 1NW4 IMH 7.5
38 1SC3 MLI 9.09091
39 1Q19 APC 9.16667
40 1I1E DM2 9.16667
41 5EXE 5SR 9.16667
42 2ZL4 ALA ALA ALA ALA 10
43 1TL2 NDG 10
44 2Z3U CRR 10.8333
45 1ME8 RVP 10.8333
46 1PVN MZP 11.6667
47 2QHV OC9 12.5
48 4BIX ADP 12.5
49 2QHS OCA 12.5
50 3WWX DIA 13.3333
51 1LVW TYD 13.3333
52 4OYA 1VE 14.1667
53 1BKC INN 15
54 5XVG 8FX 15.8333
55 2ZXI FAD 16.6667
56 2QGI UDP 17.5
57 2EB5 OXL 20
58 4R78 AMP 20.8333
59 5LX9 OLB 30
Pocket No.: 3; Query (leader) PDB : 5O3Q; Ligand: CMP; Similar sites found with APoc: 60
This union binding pocket(no: 3) in the query (biounit: 5o3q.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 2BOS GLA GAL GLC NBU None
2 1INN MET None
3 5T9F NAP None
4 5T9E NAP None
5 5T9F TYR None
6 3GGU 017 None
7 2I7N ACO None
8 5J5R IMP 2.5
9 5J5R 6G1 2.5
10 1T3D CYS 3.33333
11 5T8U LPA 3.33333
12 2BTM PGA 3.33333
13 1WPY BTN 3.33333
14 2Y5D NAP 3.33333
15 4DE3 DN8 4.16667
16 3I3X U22 4.16667
17 2DXU BT5 4.16667
18 3LZW FAD 4.16667
19 4J51 N75 4.16667
20 3EWP APR 4.16667
21 1USI PHE 4.16667
22 1RJW ETF 5
23 2W5P CL8 5
24 5DNC ASN 5
25 2AZC 3TL 5.05051
26 1EWK GLU 5.83333
27 6AYU F6P 5.83333
28 2VAR AMP 6.66667
29 6ALW BNV 6.66667
30 2VAR ANP 6.66667
31 3MVH WFE 6.66667
32 1P4V GLY 7.5
33 4XAQ 40F 7.5
34 3HQ9 OXL 8.33333
35 5WS9 OXL 8.33333
36 5F7Y GLC GAL NAG GAL FUC A2G 8.33333
37 1FQK ALF 9.16667
38 2GJP MAL 9.16667
39 2RCU BUJ 9.16667
40 5TUF TDC 9.16667
41 3F8D FAD 10
42 4TVD BGC 10.8333
43 3LAD FAD 10.8333
44 2WME NAP 10.8333
45 1P6O HPY 11.6667
46 4WHZ 3NL 11.6667
47 2E4U GLU 11.6667
48 6GAS FAD 12.5
49 4HAT GNP 12.5
50 1T3Q MCN 14.1667
51 1RZM E4P 15
52 1C3M MAN MAN 15.8333
53 4CS4 ANP 15.8333
54 4CS4 AXZ 15.8333
55 2J5B TYE 15.8333
56 1WA5 GTP 16.6667
57 2G50 PYR 18.3333
58 5YBL AKG 28.3333
59 3GGO NAI 33.3333
60 3GGO ENO 33.3333
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