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Receptor
PDB id Resolution Class Description Source Keywords
2J41 1.9 Å EC: 2.7.4.8 CRYSTAL STRUCTURE OF STAPHYLOCOCCUS AUREUS GUANYLATE MONOPHOSPHATE KINASE STAPHYLOCOCCUS AUREUS GMP GMK KINASE TRANSFERASE ATP-BINDING NUCLEOTIDE- BINDING STAPHYLOCOCCUS AUREUS
Ref.: STRUCTURE OF STAPHYLOCOCCUS AUREUS GUANYLATE MONOPHOSPHATE KINASE ACTA CRYSTALLOGR.,SECT.F V. 62 949 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
5GP B:1208;
C:1200;
D:1210;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
363.221 C10 H14 N5 O8 P c1nc2...
K B:1207;
C:1199;
D:1209;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
39.098 K [K+]
SO4 A:1198;
B:1206;
C:1198;
D:1207;
D:1208;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4QRH 1.65 Å EC: 2.7.4.8 MOLECULAR MECHANISM AND EVOLUTION OF GUANYLATE KINASE REGULA (P)PPGPP STAPHYLOCOCCUS AUREUS USA300-ISMMS1 GUANYLATE KINASE PHOSPHOTRANSFERASE PPPGPP TRANSFERASE
Ref.: MOLECULAR MECHANISM AND EVOLUTION OF GUANYLATE KINA REGULATION BY (P)PPGPP. MOL.CELL V. 57 735 2015
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4QRH Ki = 7 uM 0O2 C10 H18 N5 O20 P5 c1nc2c(n1[....
2 2J41 - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4QRH Ki = 7 uM 0O2 C10 H18 N5 O20 P5 c1nc2c(n1[....
2 2J41 - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1EX7 - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
2 1GKY - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
3 2F3R ic50 = 0.5 uM G5P C20 H29 N10 O23 P5 c1nc(c2c(n....
4 2AN9 - GMP C10 H13 N5 O5 c1nc2c(n1[....
5 1LVG - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
6 1ZNY - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
7 1ZNX - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
8 1ZNZ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
9 4QRH Ki = 7 uM 0O2 C10 H18 N5 O20 P5 c1nc2c(n1[....
10 2J41 - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 5GP; Similar ligands found: 159
No: Ligand ECFP6 Tc MDL keys Tc
1 G 1 1
2 5GP 1 1
3 GDP 0.828947 0.986486
4 GP3 0.815789 0.960526
5 GP2 0.805195 0.948052
6 GTP 0.797468 0.986486
7 GNH 0.794872 0.973333
8 G2P 0.777778 0.948052
9 GMV 0.775 0.960526
10 G1R 0.765432 0.973333
11 GCP 0.765432 0.960526
12 GAV 0.759036 0.948052
13 GSP 0.756098 0.935897
14 GNP 0.756098 0.960526
15 9GM 0.756098 0.960526
16 ALF 5GP 0.753086 0.9
17 GMP 0.732394 0.866667
18 GPG 0.724138 0.948052
19 G2R 0.712644 0.948052
20 ALF GDP 0.701149 0.9
21 GDP ALF 0.701149 0.9
22 GDP AF3 0.701149 0.9
23 GKE 0.692308 0.948052
24 Y9Z 0.692308 0.890244
25 GDC 0.692308 0.948052
26 GDD 0.692308 0.948052
27 YGP 0.681319 0.9125
28 G3A 0.677419 0.960526
29 G5P 0.670213 0.960526
30 GFB 0.666667 0.948052
31 GDR 0.666667 0.948052
32 GTG 0.666667 0.924051
33 6CK 0.659574 0.924051
34 3GP 0.65 0.959459
35 G G 0.648936 0.960526
36 GKD 0.645833 0.948052
37 JB2 0.645833 0.948052
38 GDX 0.639175 0.960526
39 GPD 0.639175 0.9125
40 GDP 7MG 0.635417 0.923077
41 G3D 0.617977 0.972973
42 U2G 0.617647 0.924051
43 2GP 0.609756 0.946667
44 IMP 0.609756 0.972603
45 JB3 0.607843 0.935897
46 CG2 0.605769 0.924051
47 G4P 0.604396 0.972973
48 DGP 0.60241 0.922078
49 DG 0.60241 0.922078
50 FEG 0.601942 0.890244
51 NGD 0.601942 0.948052
52 ZGP 0.596154 0.879518
53 0O2 0.595745 0.972973
54 2MD 0.584906 0.879518
55 G7M 0.583333 0.960526
56 CAG 0.583333 0.869048
57 G A A A 0.579439 0.935065
58 A G 0.579439 0.947368
59 U A G G 0.574074 0.947368
60 MGD 0.568807 0.879518
61 DBG 0.566372 0.935897
62 PGD 0.5625 0.9125
63 MD1 0.5625 0.879518
64 P2G 0.55814 0.894737
65 GCP G 0.556701 0.933333
66 FE9 0.553571 0.784946
67 P1G 0.545455 0.883117
68 GH3 0.542553 0.96
69 TPG 0.53913 0.829545
70 GPX 0.53125 0.933333
71 DGI 0.527473 0.910256
72 G1R G1R 0.525862 0.911392
73 G U 0.522936 0.911392
74 PGD O 0.521368 0.83908
75 DGT 0.521277 0.910256
76 G4M 0.520325 0.869048
77 AKW 0.513761 0.878049
78 G C 0.513514 0.911392
79 93A 0.511364 0.821429
80 IDP 0.505495 0.959459
81 MGQ 0.505155 0.948052
82 C2R 0.5 0.893333
83 A 0.5 0.905405
84 AMZ 0.5 0.905405
85 BGO 0.5 0.911392
86 AMP 0.5 0.905405
87 AIR 0.493671 0.890411
88 MGV 0.49 0.901235
89 SGP 0.488889 0.8375
90 NIA 0.488095 0.8375
91 GPC 0.474138 0.890244
92 G G G RPC 0.473684 0.886076
93 GGM 0.473684 0.888889
94 71V 0.47191 0.85
95 APC G U 0.470085 0.897436
96 R5I 0.46875 0.933333
97 R7I 0.46875 0.933333
98 MGP 0.46875 0.948052
99 35G 0.468085 0.945946
100 PCG 0.468085 0.945946
101 C2E 0.468085 0.933333
102 G1G 0.466102 0.9125
103 AAM 0.465909 0.905405
104 RMB 0.465909 0.813333
105 FAI 0.465909 0.905405
106 7RA 0.465909 0.918919
107 1RB 0.465116 0.824324
108 6G0 0.463918 0.948052
109 5GP 5GP 0.463158 0.894737
110 G G G C 0.462185 0.924051
111 RBZ 0.45977 0.815789
112 UCG 0.459016 0.923077
113 A G C C 0.458333 0.923077
114 DG DG 0.456311 0.876543
115 G U34 0.45614 0.9
116 IMO 0.449438 0.866667
117 A G U 0.446154 0.9
118 G C C C 0.443548 0.935897
119 IRN 0.443038 0.808219
120 PMO 0.43956 0.792208
121 7RP 0.438202 0.864865
122 GTA 0.436364 0.924051
123 JLN 0.433333 0.88
124 P2P 0.433333 0.842105
125 A G U U 0.42963 0.9
126 XMP 0.428571 0.907895
127 PGS 0.425532 0.804878
128 RVP 0.423529 0.84
129 G2Q 0.423077 0.948052
130 ADP 0.419355 0.906667
131 ABM 0.417582 0.857143
132 A2D 0.417582 0.881579
133 PRT 0.416667 0.945946
134 GUO 0.415842 0.932432
135 AT4 0.414894 0.871795
136 CA0 0.410526 0.883117
137 2SA 0.41 0.871795
138 1YD 0.409091 0.933333
139 4BW 0.409091 0.933333
140 A12 0.408602 0.871795
141 AP2 0.408602 0.871795
142 BA3 0.408602 0.881579
143 6C6 0.408163 0.825
144 25A 0.407767 0.906667
145 NOS 0.406977 0.813333
146 HEJ 0.40625 0.906667
147 ATP 0.40625 0.906667
148 AP5 0.404255 0.881579
149 B4P 0.404255 0.881579
150 ACQ 0.40404 0.883117
151 6IA 0.40404 0.785714
152 ANP 0.40404 0.883117
153 CGP 0.403361 0.878049
154 APC 0.402062 0.871795
155 3ZE 0.402062 0.871795
156 5FA 0.402062 0.906667
157 AQP 0.402062 0.906667
158 N6P 0.4 0.853333
159 AN2 0.4 0.894737
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4QRH; Ligand: 0O2; Similar sites found with APoc: 593
This union binding pocket(no: 1) in the query (biounit: 4qrh.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 3WV6 GAL GLC None
2 5DG2 GAL GLC None
3 1GXU 2HP None
4 1A4R GNH None
5 3NV3 GAL NAG MAN None
6 3BOS CDP None
7 2D6M LBT None
8 1A4R GDP None
9 1R2Q GNP None
10 3MJH GTP None
11 3WH2 FLC None
12 4DID GDP None
13 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU None
14 3WV6 GAL BGC None
15 2IYL GDP None
16 1YZQ GNP None
17 2Y8E GNP None
18 1I7A PHE None
19 1IS3 LAT None
20 2O66 FLC None
21 4DKX GDP 0.925926
22 2G30 ALA ALA PHE 0.952381
23 4U5X GNP 1.1236
24 1F9V ADP 1.42857
25 2PL3 ADP 1.42857
26 3DKP ADP 1.42857
27 2WIC GNP 1.42857
28 2NCD ADP 1.42857
29 4WEI GLC GAL 1.42857
30 1C1L GAL BGC 1.45985
31 1X1R GDP 1.68539
32 1OE0 TTP 1.90476
33 1DAK ADP 1.90476
34 1DAK DPU 1.90476
35 4R43 GDP 1.90476
36 6G14 G4P 1.90476
37 1GET FAD 1.90476
38 4BAS GNP 2.01005
39 1SQL GUN 2.05479
40 1FZQ GDP 2.20994
41 3T5G GDP 2.20994
42 1YZG GDP 2.23464
43 4AG5 ADP 2.38095
44 1V8K ANP 2.38095
45 2Z49 AMG 2.38095
46 2J0V GDP 2.38095
47 5FTB ANP 2.38095
48 4ZNL BEF ADP 2.38095
49 4ZKD GDP 2.38095
50 1FP6 ADP 2.38095
51 3FWY ADP 2.38095
52 3N5C GDP 2.46914
53 4KAX GTP 2.48447
54 1F6B GDP 2.52525
55 1ULE GLA GAL NAG 2.66667
56 2XT3 ADP 2.85714
57 1B0U ATP 2.85714
58 5NC1 NAG 2.85714
59 2NGR AF3 2.85714
60 3CNL GNP 2.85714
61 2NGR GDP 2.85714
62 2ZE7 DST 2.85714
63 4J0Q GDP 2.85714
64 5JCP GDP ALF 2.85714
65 3AB4 THR 2.85714
66 5EPA AKG 2.85714
67 5GOE GDP 2.85714
68 1SQ5 ADP 2.85714
69 5EXT ADP 2.85714
70 2ZE7 AMP 2.85714
71 2FFQ GSP 2.92398
72 1GRN AF3 2.95567
73 5WLB GNP 3.01205
74 4UP5 94W 3.0303
75 3PCR GTP 3.08642
76 4KOT CE3 3.08642
77 3M3E GAL A2G NPO 3.10559
78 2A5F GTP 3.10881
79 5OCG GNP 3.1746
80 5UQW GDP 3.1746
81 2X77 GDP 3.1746
82 3SBD GNP 3.20856
83 5TB5 GDP 3.24324
84 5TAR GDP 3.24324
85 1BG2 ADP 3.33333
86 1YRB GDP 3.33333
87 2ZFI ADP 3.33333
88 3ESS 18N 3.33333
89 2IS6 ADP 3.33333
90 1KK1 GNP 3.33333
91 4ZDJ UTP 3.33333
92 6FAA ADP 3.33333
93 3DC4 ADP 3.33333
94 2JIG PD2 3.33333
95 5IRN ADP 3.33333
96 1WDT GTP 3.33333
97 3FVQ ATP 3.33333
98 6FA4 GNP 3.46821
99 2GCO GNP 3.48259
100 2GCN GDP 3.48259
101 4K81 GTP 3.50877
102 5O2T GSP 3.5503
103 1CLU DBG 3.61446
104 3Q72 GNP 3.61446
105 1ZJ6 G3D 3.74332
106 1KMQ GNP 3.80435
107 5U32 GDP 3.80952
108 5GVR LMR 3.80952
109 2FSH ANP 3.80952
110 5HCF BGC 3.80952
111 6BSX GDP 3.80952
112 1DAR GDP 3.80952
113 1SKQ GDP 3.80952
114 5H68 AGS 3.80952
115 6BSX E7S 3.80952
116 4YS0 ADP 3.80952
117 3JZ0 CLY 3.80952
118 1K6M AGS 3.80952
119 4E03 ADP 3.8835
120 2W83 GTP 3.8961
121 1TX4 ALF GDP 3.9548
122 3MTX PGT 3.97351
123 2DT9 THR 4.19162
124 5BQ5 ADP BEF 4.2328
125 1LVK MNT BEF 4.28571
126 5ZXD ATP 4.28571
127 4BFW ZVW 4.28571
128 3GJ4 GDP 4.28571
129 3GJ7 GDP 4.28571
130 3GJ0 GDP 4.28571
131 3GJ3 GDP 4.28571
132 5XDR ADP 4.28571
133 4QOS ADP 4.28571
134 4KBF AMP 4.28571
135 3GJ5 GDP 4.28571
136 5Y6N ADP 4.28571
137 1IND EOT 4.28571
138 6C90 ADP 4.28571
139 3CH5 GDP 4.28571
140 3A1S GDP 4.28571
141 6AU6 GDP 4.28571
142 4TMZ GSP 4.28571
143 4NCN GTP 4.28571
144 4YVN EBS 4.28571
145 1CS4 GSP 4.28571
146 4WOP CTP 4.44444
147 6FOF LAT 4.59184
148 2GJ8 ALF GDP 4.65116
149 2A5J GDP 4.71204
150 1XX6 ADP 4.71204
151 3COB ADP 4.7619
152 2VDF OCT 4.7619
153 4KFU ACP 4.7619
154 3P4X ADP 4.7619
155 3EWA ANP 4.7619
156 1WA5 GTP 4.7619
157 5MZN ADP 4.7619
158 1WQ1 AF3 4.7619
159 5HCN GCP 4.7619
160 1R6B ADP 4.7619
161 4A4Z ANP 4.7619
162 1U0J ADP 4.7619
163 4TTQ ATP 4.7619
164 2OG2 MLI 4.7619
165 4LYA ATP 4.7619
166 4JLV ADP 4.7619
167 3B9Q MLI 4.7619
168 4FCW ADP 4.7619
169 1VHT BA3 4.7619
170 5H7K GDP 4.7619
171 2EFE GNH 4.7619
172 4M26 AKG 4.7619
173 2ORV 4TA 4.7619
174 3ZFD ANP 4.7619
175 5KUT GDP 4.7619
176 3W5J GDP 4.90196
177 1LNX URI 4.93827
178 2W58 ADP 4.9505
179 5NLD LBT 5.03597
180 2FJU GSP 5.05618
181 1HE1 AF3 5.11364
182 5NFB 8VT 5.11364
183 1W4R TTP 5.12821
184 5E95 GDP 5.15464
185 1Z0A GDP 5.17241
186 2CJW GDP 5.20833
187 1JJ7 ADP 5.2381
188 5KSP GDP 5.2381
189 5KSZ GCP 5.2381
190 3G5N PB2 5.2381
191 5IFS ADP 5.2381
192 6B8B ADP 5.2381
193 4PJ3 ANP 5.2381
194 3ZQ6 ADP ALF 5.2381
195 4IHQ ADP 5.2381
196 3DEF GDP 5.2381
197 4XSH GSP 5.2381
198 2IXE ATP 5.2381
199 2OZE AGS 5.2381
200 4GOJ GNP 5.29101
201 6BC0 GSP 5.33333
202 1GWN GTP 5.36585
203 4UXH T5A 5.43478
204 1NF3 GNP 5.46875
205 5XKT GNP 5.5
206 2F9L GDP 5.52764
207 3VV1 GAL FUC 5.625
208 3PQC GDP 5.64103
209 3A76 SPD 5.68182
210 3TK1 GDP 5.71429
211 2RCN GDP 5.71429
212 3B5J 12D 5.71429
213 2GKS ADP 5.71429
214 3DZD ADP 5.71429
215 3B7G ANP 5.71429
216 4NU0 AP5 5.71429
217 5EE5 GTP 5.71429
218 1X6V ADP 5.71429
219 1E2K TMC 5.71429
220 1G7S GDP 5.71429
221 5H4S RAM 5.71429
222 1TQ4 GDP 5.71429
223 1W0J ADP 5.71429
224 2HT6 GDP 5.74713
225 1OIX GDP 5.75916
226 1OIV GDP 5.75916
227 2OFW ADX 5.76923
228 5F90 LMR 5.76923
229 2C5L GTP 5.78035
230 3WUD GLC GAL 5.88235
231 2BME GNP 5.91398
232 1ZUI SKM 5.95238
233 1A78 TDG 5.97015
234 1M7B GTP 5.97826
235 5LY1 PPI 6.03675
236 2UZI GTP 6.14035
237 5JCZ GDP 6.14525
238 2YMZ LAT 6.15385
239 1G6H ADP 6.19048
240 2CBZ ATP 6.19048
241 4U00 ADP 6.19048
242 1T5C ADP 6.19048
243 5TSH ADP 6.19048
244 5TSH ANP 6.19048
245 5CK5 GDP 6.19048
246 4LC1 GDP 6.19048
247 3FB4 AP5 6.19048
248 2QZ4 ADP 6.19048
249 2OBM ADP 6.19048
250 3CPJ GDP 6.19048
251 2Q2Y ADP 6.19048
252 2Q2Y MKR 6.19048
253 3E70 GDP 6.19048
254 5N69 ADP 6.19048
255 1W7J ADP BEF 6.19048
256 2YOH WMJ 6.19048
257 2WOJ ADP ALF 6.19048
258 3ZS9 ADP ALF 6.19048
259 1UJ2 ADP 6.19048
260 1UJ2 C5P 6.19048
261 2XTZ GSP 6.19048
262 1NY5 ADP 6.19048
263 4LX0 BEF GDP 6.21469
264 1DS6 GDP 6.25
265 2HV8 GTP 6.39535
266 2W2X GSP 6.48649
267 3RWO GDP 6.48649
268 3Q85 GNP 6.50888
269 2D7C GTP 6.58683
270 1MR3 G3D 6.62983
271 2VVG ADP 6.66667
272 4WZ6 ATP 6.66667
273 3NHB ADP 6.66667
274 4ZG4 VO4 ADP 6.66667
275 5W75 SUC 6.66667
276 2QN6 GDP 6.66667
277 3Q9L ATP 6.66667
278 5L3V GDP 6.66667
279 4PFO ADP 6.66667
280 5W75 GDP 6.66667
281 5M7P ADP 6.66667
282 4RD0 GDP 6.66667
283 5GLT BGC GAL NAG GAL 6.66667
284 2VB6 ADP BEF 6.66667
285 1M2O GNP 6.66667
286 4NON GDP 6.66667
287 1N4K I3P 6.66667
288 5L3R GCP 6.66667
289 2QTV GNP 6.66667
290 2PEZ GGZ 6.70391
291 2PEZ DAT 6.70391
292 4ZI2 GNP 6.76692
293 5XC5 GTP 6.81818
294 1RYH GNP 6.89655
295 3LRE ADP 7.14286
296 2PZE ATP 7.14286
297 4FRZ ADP 7.14286
298 3H4S ADP 7.14286
299 2WHX ADP 7.14286
300 5LB3 ADP 7.14286
301 1JI0 ATP 7.14286
302 1M7G AV2 7.14286
303 5BN3 ADP 7.14286
304 5ZBR ANP 7.14286
305 5LLB 6YZ 7.14286
306 3WY9 GDP 7.14286
307 1NN5 ANP 7.14286
308 1NN5 2DT 7.14286
309 1M7G ADP 7.14286
310 3WYA GDP 7.14286
311 2JLR ANP 7.14286
312 1PUJ GNP 7.14286
313 1M7G ADX 7.14286
314 4OHY ANP 7.14286
315 1WF3 GNP 7.14286
316 4YC7 GNP 7.14286
317 3GJX GTP 7.14286
318 5VHC BEF ADP 7.14286
319 3KTA AP5 7.14286
320 3TBK ANP 7.14286
321 3IIJ ADP 7.22222
322 3I8T LBT 7.31707
323 4C4P GNP 7.47664
324 3UIE ANP 7.5
325 5ZB0 ADP 7.57576
326 5ZB0 TYD 7.57576
327 2AWN ADP 7.61905
328 3MD0 GDP 7.61905
329 5UIV ADP 7.61905
330 2D2F ADP 7.61905
331 1XKV ATP 7.61905
332 2HCJ GDP 7.61905
333 2RAB NAD 7.61905
334 2C77 GNP 7.61905
335 2C78 GNP 7.61905
336 4M9Q GNP 7.61905
337 3RLF ANP 7.61905
338 5DI3 GNP 7.61905
339 1BO4 COA 7.7381
340 1Z0F GDP 7.82123
341 5BXQ GDP 7.87402
342 3CX8 GSP 7.88177
343 1MH1 GNP 8.06452
344 5LTJ BEF 8.09524
345 4NE2 ADP 8.09524
346 4NE2 SH2 8.09524
347 5LTJ ADP 8.09524
348 1SVK ALF GDP 8.09524
349 3TMK T5A 8.09524
350 5W76 GDP 8.09524
351 1FQK ALF 8.09524
352 1Z6T ADP 8.09524
353 1OS1 PYR 8.09524
354 1OS1 ATP 8.09524
355 1CR1 TTP 8.09524
356 4TMK T5A 8.09524
357 1FQJ ALF 8.09524
358 1G4U AF3 8.15217
359 2C3H GLC GLC 8.16327
360 4QM7 GTP 8.18713
361 6BCB GSP 8.21918
362 1YVD GNP 8.28402
363 5IRC GDP 8.45771
364 1RRC ADP 8.57143
365 4PX9 ADP 8.57143
366 4D0N GDP 8.57143
367 5AK0 8V1 8.57143
368 5FG3 GDP 8.57143
369 5M04 GDP 8.57143
370 1TDU DUR 8.57143
371 2XAU ADP 8.57143
372 5W7Q GDP 8.57143
373 1DDU DDU 8.57143
374 4R2I ANP 8.57143
375 4ISK UMP 8.57143
376 6BCA GSP 8.57143
377 2WMO GTP 8.57143
378 1SYN UMP 8.57143
379 1JG0 UMP 8.57143
380 4MOB ADP 8.57143
381 5MVR ADP 8.64198
382 1Z0K GTP 8.72093
383 2KIN ADP 9.04762
384 4MKG AP5 9.04762
385 2ZR9 DTP 9.04762
386 1G6O ADP 9.04762
387 1NHX PEP 9.04762
388 1NHX FTB 9.04762
389 1XP8 AGS 9.04762
390 6D5G GNP 9.04762
391 6D5E GNP 9.04762
392 6D59 GNP 9.04762
393 6D5L GNP 9.04762
394 6D56 GNP 9.04762
395 6D5J GNP 9.04762
396 6D5H GNP 9.04762
397 6BVL GNP 9.04762
398 6BVJ GNP 9.04762
399 6BVK GNP 9.04762
400 6BVI GNP 9.04762
401 6D55 GNP 9.04762
402 6D5V GNP 9.04762
403 6D5M GNP 9.04762
404 6BVM GNP 9.04762
405 1NVV GNP 9.04762
406 5YBL AKG 9.04762
407 2WKQ GTP 9.04762
408 5K5Z ANP 9.04762
409 1UAD GNP 9.14286
410 1ZC3 GNP 9.14286
411 1Z83 AP5 9.18367
412 3IA4 MTX 9.25926
413 5OEC GDP 9.28962
414 1UKZ ADP 9.35961
415 1EK0 GNP 9.41177
416 4PPF FLC 9.52381
417 5YV5 ADP 9.52381
418 2Y65 ADP 9.52381
419 1YQT ADP 9.52381
420 5G41 AP5 9.52381
421 4LPS GDP 9.52381
422 4MKF AP5 9.52381
423 5I0H ADP BEF 9.52381
424 1U8Z GDP 9.52381
425 4Z7X 3CX 9.52381
426 4YMU ATP 9.52381
427 6B4K ANP 9.52381
428 2WJG GDP 9.57447
429 1B7T ADP 9.61539
430 1J2J GTP 9.63855
431 1O3Y GTP 9.63855
432 2J59 GTP 9.63855
433 1VG8 GNP 9.66184
434 1VG0 GDP 9.66184
435 3DOE GTP 9.69697
436 5KEW 6SB 9.72222
437 2ZX2 RAM 9.74359
438 1RE0 GDP 9.7561
439 1S9D GDP 9.7561
440 1OFH ADP 9.77011
441 1Y63 ADP 9.78261
442 3REF GDP 9.79381
443 1GOJ ADP 10
444 2GDJ ANP 10
445 1ZIN AP5 10
446 4WZA ADP 10
447 5WC2 ADP 10
448 4WZA ACP 10
449 1UPT GTP 10
450 1OXV ANP 10
451 4XGU ADP 10
452 2A9K GDP 10.1604
453 3AQ4 GDP 10.3261
454 1MKY GDP 10.4762
455 1S3G AP5 10.4762
456 5G3Y ADP 10.4762
457 1D2E GDP 10.4762
458 4HI0 GDP 10.4762
459 2FAH GDP 10.4762
460 1JJV ATP 10.6796
461 1HTW ADP 10.7595
462 1KK8 BEF ADP 10.7914
463 1VG1 GDP 10.8108
464 1VG9 GDP 10.8108
465 5SZH GNP 10.8374
466 2WJH GDP 10.8434
467 2WJH FLC 10.8434
468 3GJ8 GDP 10.8696
469 2EW1 GNP 10.9453
470 2CDN ADP 10.9453
471 3WUC GLC GAL 10.9489
472 6A20 ADP 10.9524
473 1AKY AP5 10.9524
474 2HQM FAD 10.9524
475 2BCG GDP 11.165
476 1SLT NDG GAL 11.194
477 3TKL GTP 11.2245
478 3BC1 GNP 11.2821
479 5Z2M GTP 11.3636
480 3BFV ADP 11.4286
481 5H9Q TD2 11.6129
482 1R4A GNP 11.7647
483 3RAB GNP 11.8343
484 4KVG GTP 11.9048
485 5L3W GDP 11.9048
486 4XOI GTP 11.9048
487 3H86 AP5 11.9792
488 2QG6 NMN 12.0603
489 2G77 AF3 12.1212
490 2G77 GDP 12.1212
491 3SFV GDP 12.1547
492 5O74 GDP 12.2222
493 4YDS ATP 12.381
494 4D81 ADP 12.381
495 1YZN GNP 12.4324
496 3NKV GNP 12.5714
497 1KAO GDP 12.5749
498 3TNF GNP 12.6437
499 3QBT GNP 12.6437
500 4LHW GNP 12.6437
501 1Z06 GNP 12.6984
502 1CXZ GSP 12.7907
503 5UWS GNP 12.8571
504 5UWP GNP 12.8571
505 4HAT GNP 12.8571
506 5DI9 GNP 12.8571
507 3WYG GTP 12.8571
508 3WYF GTP 12.8571
509 4B47 GDP 12.8571
510 6GN6 MAL 12.8571
511 5UWH GNP 12.8571
512 5DHF GNP 12.8571
513 5UWO GNP 12.8571
514 5UWT GNP 12.8571
515 5UWQ GNP 12.8571
516 5UWW GNP 12.8571
517 5DIF GNP 12.8571
518 5UWI GNP 12.8571
519 5UWR GNP 12.8571
520 6CIT GNP 12.8571
521 5UWJ GNP 12.8571
522 5UWU GNP 12.8571
523 3M1I GTP 12.8571
524 1I4D GDP 13.0208
525 1E96 GTP 13.0208
526 1LFD GNP 13.1737
527 1KY3 GDP 13.1868
528 3DDC GNP 13.253
529 1R0X ATP 13.3333
530 3U6B GDP 13.3333
531 4P3Y GDP 13.3333
532 2BVN GNP 13.3333
533 5JBQ GDP 13.3333
534 1D8T GDP 13.3333
535 4G5G GDP 13.3333
536 3U6K GDP 13.3333
537 1S8F GDP 13.5593
538 5LEF GTP 13.6364
539 3ZIA ADP 13.7681
540 3ZIA ATP 13.7681
541 4IEE AGS 13.8095
542 1RJ9 GCP 13.8095
543 2HF9 GSP 13.8095
544 3QF7 ANP 14
545 1W6P NDG GAL 14.1791
546 4X8O AP5 14.2857
547 3VMF GTP 14.2857
548 3WXM GTP 14.2857
549 5WDR GNP 14.6199
550 1G16 GDP 14.7059
551 1Y7P RIP 14.7619
552 4CVN ADP 15.1832
553 4HSE ADP 15.7143
554 4DCT GDP 16.6667
555 1IBR GNP 16.6667
556 3LXR GDP 16.6667
557 3A4M ADP 16.6667
558 4Q1A 2XZ 17.1429
559 4Q1A UDP 17.1429
560 3EC1 GDP 17.619
561 2V7Q ADP 18.0952
562 2V7Q ATP 18.0952
563 2CK3 ANP 18.0952
564 2RGX AP5 18.4466
565 2DPY ADP 18.5714
566 1Z0J GTP 18.6441
567 1TU3 GNP 18.9873
568 2JAQ DCP 19.0244
569 5UPK GNP 19.5238
570 1XMV ADP 19.5238
571 2D7D ADP 20
572 2CE7 ADP 20.4762
573 2QQ0 THM 20.6522
574 2QQ0 ANP 20.6522
575 2QQ0 TMP 20.6522
576 2QQ0 ADP 20.6522
577 2BIF SIN 21.4286
578 2BIF ANP 21.4286
579 4KVA GTP 21.9048
580 1SVI GDP 22.5641
581 3IO3 ADP 27.619
582 4BQS ADP 27.8409
583 4BQS K2Q 27.8409
584 5YT0 GDP 28.5714
585 5IRR GSP 28.5714
586 1QF9 ALF 31.9588
587 1QF9 ADP 31.9588
588 1QF9 C5P 31.9588
589 3X1Z GNP 33.5329
590 4HDO GNP 33.5329
591 4HDQ GNP 33.5329
592 1GUA GNP 33.5329
593 1JXM 5GP 42.381
Pocket No.: 2; Query (leader) PDB : 4QRH; Ligand: 0O2; Similar sites found with APoc: 57
This union binding pocket(no: 2) in the query (biounit: 4qrh.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 1L8B MGP None
2 6GNO XDI None
3 1EJH M7G None
4 6G96 ACO None
5 1GET NAP 1.90476
6 3QXC ATP 2.38095
7 5L6G XYP 2.85714
8 6G47 SIA 2.87081
9 1QKQ MAN 3.52113
10 4TL6 ANP 3.80952
11 2ZTS ADP 4.38247
12 1WS5 MMA 4.51128
13 4AKB GAL 4.51128
14 1UGW GAL 4.51128
15 1WS4 GYP 4.51128
16 1TOQ AMG 4.51128
17 1KUJ MMA 4.51128
18 1JAC AMG 4.51128
19 1JOT GAL A2G 4.51128
20 1UGY GLA GLC 4.51128
21 1UGY GLA BGC 4.51128
22 5OCA 9QZ 4.7619
23 4COQ SAN 4.7619
24 4G7A AZM 5.2381
25 4OR7 25U 5.45455
26 4XBA GMP 5.5
27 5EO8 TFU 5.71429
28 5X40 ACP 5.71429
29 3ZKN WZV 5.71429
30 4D4U FUC NDG GAL FUC 5.71429
31 6A63 LAT 6.52174
32 1G41 ADP 6.66667
33 3SAO DBH 7.5
34 1TAD ALF 7.61905
35 1TAD GDP 7.61905
36 2ZW5 COA 7.61905
37 2ODE ALF GDP 8.09524
38 1BH2 GSP 8.09524
39 5F6U 5VK 8.28025
40 5H9Y BGC BGC BGC BGC 9.04762
41 2DUA OXL 9.04762
42 6DEF GCP 9.04762
43 2W9S TOP 9.31677
44 1ZHS NAG NAG BMA MAN MAN 9.73451
45 5LXT GTP 10.4762
46 2A92 NAI 11.4286
47 1OYY AGS 11.9048
48 5L3S GNP 11.9048
49 4PC3 GDP 13.3333
50 3LQV ADE 14.7826
51 1L2T ATP 15.2381
52 2ZEJ GDP 15.7609
53 3T12 GDP ALF 16.9118
54 2CK3 ADP 18.0952
55 4D0G GTP 23.1884
56 2UYP PPI 25.5814
57 2UYN 2KT 25.5814
Pocket No.: 3; Query (leader) PDB : 4QRH; Ligand: 0O2; Similar sites found with APoc: 16
This union binding pocket(no: 3) in the query (biounit: 4qrh.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 3JQ9 AX1 0.952381
2 5TVJ COA 1.90476
3 3GD9 GLC BGC BGC BGC 2.85714
4 1PIG BGC 2.85714
5 5KJW 53C 3.33333
6 4PIV NDP 3.80952
7 4X5S AZM 4.28571
8 1WS4 AMG 4.51128
9 3HU3 AGS 5.2381
10 6DW2 HD4 7.14286
11 4MLN ODV 11.7347
12 2PNZ 5GP 11.9048
13 3ZXE PGZ 13.5338
14 1W6O LAT 14.1791
15 1GZW GAL BGC 18.6567
16 3DZ6 PUT 19.403
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