-->
Receptor
PDB id Resolution Class Description Source Keywords
4OP0 1.7 Å EC: 6.3.4.15 CRYSTAL STRUCTURE OF BIOTIN PROTEIN LIGASE (RV3279C) OF MYCO TUBERCULOSIS, COMPLEXED WITH BIOTINYL-5'-AMP MYCOBACTERIUM TUBERCULOSIS BIRA LIGASE
Ref.: ACTIVE SITE CONFORMATIONAL CHANGES UPON REACTION INTERMEDIATE BIOTINYL-5'-AMP BINDING IN BIOTIN PROT LIGASE FROM MYCOBACTERIUM TUBERCULOSIS. PROTEIN SCI. V. 23 932 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BT5 A:301;
B:301;
Valid;
Valid;
none;
none;
submit data
573.517 C20 H28 N7 O9 P S c1nc(...
SO4 B:302;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4XTX 2.3 Å EC: 6.3.4.15 MYCOBACTERIUM TUBERCULOSIS BIOTIN LIGASE COMPLEXED WITH BISU INHIBITOR 57 WITH AZIDE IN PLACE OF RIBOSE 2'OH MYCOBACTERIUM TUBERCULOSIS BIOTIN-PROTEIN LIGASE BISUBSTRATE INHIBITOR LIGASE-LIGASE COMPLEX
Ref.: TARGETING MYCOBACTERIUM TUBERCULOSIS BIOTIN PROTEIN (MTBPL) WITH NUCLEOSIDE-BASED BISUBSTRATE ADENYLATI INHIBITORS. J.MED.CHEM. V. 58 7349 2015
Members (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 4XU1 Kd = 0.324 nM 44O C20 H29 N9 O6 S2 c1nc(c2c(n....
2 4XTW Kd = 0.933 nM 44M C20 H28 N12 O6 S2 c1nc(c2c(n....
3 4XTX Kd = 0.027 nM 590 C20 H27 N11 O7 S2 c1nc(c2c(n....
4 3RUX Kd = 0.53 nM BS5 C20 H29 N9 O7 S2 c1nc(c2c(n....
5 4XTZ Kd = 0.153 nM 594 C20 H27 F N8 O7 S2 c1nc(c2c(n....
6 4XTV Kd = 0.54 nM 44K C21 H31 N9 O4 S2 c1nc(c2c(n....
7 4OP0 - BT5 C20 H28 N7 O9 P S c1nc(c2c(n....
8 4XU2 Kd = 0.592 nM 44Q C20 H29 N9 O6 S2 c1nc(c2c(n....
9 4XU3 Kd = 0.315 nM 44R C18 H27 N9 O5 S2 c1nc(c2c(n....
10 4XTY Kd = 0.614 nM 44L C20 H28 F N9 O6 S2 c1nc(c2c(n....
11 4XU0 Kd = 0.769 nM 44N C21 H30 N8 O8 S2 C[C@]1([C@....
70% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 4XU1 Kd = 0.324 nM 44O C20 H29 N9 O6 S2 c1nc(c2c(n....
2 4XTW Kd = 0.933 nM 44M C20 H28 N12 O6 S2 c1nc(c2c(n....
3 4XTX Kd = 0.027 nM 590 C20 H27 N11 O7 S2 c1nc(c2c(n....
4 3RUX Kd = 0.53 nM BS5 C20 H29 N9 O7 S2 c1nc(c2c(n....
5 4XTZ Kd = 0.153 nM 594 C20 H27 F N8 O7 S2 c1nc(c2c(n....
6 4XTV Kd = 0.54 nM 44K C21 H31 N9 O4 S2 c1nc(c2c(n....
7 4OP0 - BT5 C20 H28 N7 O9 P S c1nc(c2c(n....
8 4XU2 Kd = 0.592 nM 44Q C20 H29 N9 O6 S2 c1nc(c2c(n....
9 4XU3 Kd = 0.315 nM 44R C18 H27 N9 O5 S2 c1nc(c2c(n....
10 4XTY Kd = 0.614 nM 44L C20 H28 F N9 O6 S2 c1nc(c2c(n....
11 4XU0 Kd = 0.769 nM 44N C21 H30 N8 O8 S2 C[C@]1([C@....
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4XU1 Kd = 0.324 nM 44O C20 H29 N9 O6 S2 c1nc(c2c(n....
2 4XTW Kd = 0.933 nM 44M C20 H28 N12 O6 S2 c1nc(c2c(n....
3 4XTX Kd = 0.027 nM 590 C20 H27 N11 O7 S2 c1nc(c2c(n....
4 3RUX Kd = 0.53 nM BS5 C20 H29 N9 O7 S2 c1nc(c2c(n....
5 4XTZ Kd = 0.153 nM 594 C20 H27 F N8 O7 S2 c1nc(c2c(n....
6 4XTV Kd = 0.54 nM 44K C21 H31 N9 O4 S2 c1nc(c2c(n....
7 4OP0 - BT5 C20 H28 N7 O9 P S c1nc(c2c(n....
8 4XU2 Kd = 0.592 nM 44Q C20 H29 N9 O6 S2 c1nc(c2c(n....
9 4XU3 Kd = 0.315 nM 44R C18 H27 N9 O5 S2 c1nc(c2c(n....
10 4XTY Kd = 0.614 nM 44L C20 H28 F N9 O6 S2 c1nc(c2c(n....
11 4XU0 Kd = 0.769 nM 44N C21 H30 N8 O8 S2 C[C@]1([C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BT5; Similar ligands found: 205
No: Ligand ECFP6 Tc MDL keys Tc
1 BT5 1 1
2 BTX 0.782609 0.987805
3 BS5 0.663934 0.827957
4 1ZZ 0.660714 0.850575
5 LAQ 0.652542 0.916667
6 WAQ 0.651786 0.914634
7 594 0.583333 0.822917
8 CA0 0.574074 0.833333
9 44L 0.568182 0.793814
10 DLL 0.564103 0.843373
11 A2D 0.556604 0.809524
12 590 0.55 0.833333
13 TXA 0.55 0.823529
14 OOB 0.547009 0.843373
15 5AL 0.54386 0.843373
16 44Q 0.541353 0.836957
17 50T 0.540541 0.8
18 00A 0.537815 0.804598
19 44M 0.535714 0.793814
20 ANP 0.535088 0.811765
21 SRP 0.534483 0.86747
22 8QN 0.533898 0.843373
23 MYR AMP 0.532787 0.829545
24 BA3 0.53211 0.809524
25 LPA AMP 0.53125 0.894118
26 AMO 0.529412 0.86747
27 PAJ 0.529412 0.786517
28 A3R 0.529412 0.847059
29 PR8 0.528926 0.904762
30 ADP 0.527273 0.831325
31 AP5 0.527273 0.809524
32 B4P 0.527273 0.809524
33 NB8 0.52459 0.837209
34 OMR 0.523077 0.840909
35 AT4 0.522523 0.845238
36 AN2 0.522523 0.821429
37 APR 0.522124 0.831325
38 AR6 0.522124 0.831325
39 OAD 0.520661 0.833333
40 3UK 0.520661 0.833333
41 44N 0.517986 0.842105
42 M33 0.517857 0.8
43 ADX 0.517857 0.758242
44 AGS 0.517544 0.835294
45 SAP 0.517544 0.835294
46 4AD 0.516667 0.857143
47 B5V 0.516393 0.823529
48 LAD 0.516393 0.892857
49 AMP 0.514019 0.829268
50 A 0.514019 0.829268
51 ATP 0.513274 0.831325
52 HEJ 0.513274 0.831325
53 ACP 0.513274 0.833333
54 ATF 0.512821 0.802326
55 AHX 0.512397 0.816092
56 ME8 0.512195 0.850575
57 BIS 0.512195 0.825581
58 PTJ 0.512195 0.816092
59 YAP 0.512 0.857143
60 IOT 0.511278 0.885057
61 SON 0.508929 0.890244
62 5FA 0.508772 0.831325
63 AQP 0.508772 0.831325
64 PRX 0.508772 0.811765
65 AD9 0.504348 0.811765
66 A1R 0.504132 0.847059
67 9SN 0.504 0.795455
68 TYM 0.5 0.86747
69 3OD 0.5 0.833333
70 B5Y 0.5 0.813953
71 ABM 0.5 0.788235
72 B5M 0.5 0.813953
73 FA5 0.5 0.86747
74 4UU 0.496124 0.813953
75 9X8 0.495935 0.835294
76 5SV 0.495868 0.816092
77 ACQ 0.495726 0.833333
78 GAP 0.495726 0.811765
79 44O 0.492857 0.8125
80 NAI 0.492424 0.784091
81 4UV 0.492188 0.813953
82 AU1 0.491228 0.811765
83 AP2 0.491071 0.845238
84 A12 0.491071 0.845238
85 44K 0.489051 0.76087
86 A22 0.487603 0.821429
87 YLB 0.485075 0.873563
88 YLP 0.484848 0.873563
89 XAH 0.484375 0.850575
90 6YZ 0.483333 0.833333
91 SRA 0.481818 0.833333
92 DND 0.481203 0.823529
93 4UW 0.481203 0.786517
94 NXX 0.481203 0.823529
95 NAX 0.481203 0.818182
96 YLY 0.478873 0.863636
97 FYA 0.47619 0.843373
98 MAP 0.47541 0.793103
99 COD 0.47482 0.844444
100 YLC 0.474074 0.872093
101 48N 0.473684 0.816092
102 25A 0.471545 0.831325
103 9ZA 0.471545 0.825581
104 9ZD 0.471545 0.825581
105 AYB 0.471014 0.863636
106 TAT 0.470588 0.845238
107 T99 0.470588 0.845238
108 APC 0.470085 0.845238
109 DQV 0.469697 0.821429
110 ADQ 0.467742 0.811765
111 TXE 0.466667 0.804598
112 44R 0.466667 0.776596
113 RBY 0.466102 0.845238
114 ADV 0.466102 0.845238
115 G3A 0.465649 0.795455
116 T5A 0.463768 0.831461
117 YLA 0.463768 0.873563
118 DAL AMP 0.463415 0.821429
119 G5P 0.462121 0.795455
120 7MD 0.462121 0.872093
121 CNA 0.460432 0.823529
122 TXD 0.459259 0.804598
123 6V0 0.459259 0.775281
124 GTA 0.458647 0.769231
125 F2R 0.457143 0.852273
126 NAD 0.453901 0.821429
127 ADP PO3 0.453782 0.807229
128 AP0 0.452555 0.755556
129 AFH 0.451128 0.786517
130 GA7 0.451128 0.781609
131 DZD 0.450704 0.827586
132 25L 0.449612 0.821429
133 A4P 0.449275 0.755319
134 N0B 0.44898 0.873563
135 A3D 0.447552 0.811765
136 VO4 ADP 0.447154 0.8
137 ADP VO4 0.447154 0.8
138 AMP DBH 0.44697 0.770115
139 TYR AMP 0.44697 0.835294
140 139 0.442857 0.83908
141 ADJ 0.442857 0.820225
142 7MC 0.442029 0.852273
143 ARG AMP 0.440298 0.840909
144 ALF ADP 0.439024 0.752809
145 ADP ALF 0.439024 0.752809
146 UP5 0.437956 0.813953
147 TAD 0.437037 0.870588
148 LMS 0.433628 0.73913
149 4TC 0.431655 0.816092
150 UPA 0.431655 0.804598
151 JB6 0.430769 0.869048
152 8X1 0.428571 0.75
153 M24 0.428571 0.777778
154 TSB 0.428571 0.734043
155 80F 0.427586 0.831461
156 G5A 0.42623 0.755319
157 AOC 0.426087 0.705882
158 SSA 0.424 0.755319
159 5AS 0.423729 0.71875
160 A A 0.423077 0.809524
161 P5A 0.423077 0.797872
162 NAQ 0.422819 0.775281
163 9JJ 0.421687 0.75
164 54H 0.420635 0.726316
165 VMS 0.420635 0.726316
166 52H 0.420635 0.71875
167 53H 0.417323 0.71875
168 A5A 0.416 0.741935
169 ADP BMA 0.415385 0.790698
170 EAD 0.414474 0.777778
171 AF3 ADP 3PG 0.414286 0.786517
172 649 0.414286 0.797872
173 AMP NAD 0.413793 0.821429
174 0WD 0.413793 0.795455
175 AHZ 0.413043 0.829545
176 P1H 0.412903 0.78022
177 NDE 0.412903 0.823529
178 DSZ 0.410853 0.774194
179 8PZ 0.410448 0.755319
180 ATP A A A 0.410448 0.797619
181 2A5 0.409836 0.833333
182 NDC 0.407643 0.858824
183 YSA 0.407407 0.755319
184 GJV 0.40678 0.727273
185 NAE 0.406667 0.793103
186 PAP 0.406504 0.819277
187 5CA 0.40625 0.755319
188 6RE 0.405172 0.715909
189 NA7 0.40458 0.86747
190 WSA 0.404255 0.763441
191 4TA 0.40411 0.820225
192 A4D 0.40367 0.702381
193 5CD 0.40367 0.690476
194 A3P 0.403361 0.829268
195 FNK 0.402439 0.778947
196 ADN 0.401869 0.702381
197 RAB 0.401869 0.702381
198 XYA 0.401869 0.702381
199 GSU 0.401515 0.793478
200 KAA 0.401515 0.787234
201 7C5 0.40146 0.747126
202 ZID 0.401316 0.811765
203 3AM 0.4 0.795181
204 NSS 0.4 0.755319
205 LSS 0.4 0.739583
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4XTX; Ligand: 590; Similar sites found with APoc: 315
This union binding pocket(no: 1) in the query (biounit: 4xtx.bio2) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 6GNO XDI None
2 5CLO NS8 None
3 2GTF P1R None
4 1GT4 UNA None
5 4XMF HSM None
6 5O0Z 9GB None
7 3KO0 TFP None
8 1QY1 PRZ None
9 1UQX MMA None
10 6E8I PTR None
11 4WG0 CHD None
12 3FIU POP 0.803213
13 2WLG SOP 0.930233
14 3EHH ADP 1.37615
15 1UJP CIT 1.48148
16 5C9P FUC 1.85185
17 3IAL PR8 1.85185
18 3QSB 743 1.85185
19 2AZ5 307 2.02703
20 2QHS OCA 2.1097
21 4IAW LIZ 2.12766
22 4R38 RBF 2.14286
23 5KHD C2E 2.1978
24 2WKQ FMN 2.22222
25 3ZJX BOG 2.22222
26 5G48 1FL 2.22222
27 4RD0 GDP 2.22222
28 3T4L ZEA 2.22222
29 2IRY DGT 2.22222
30 4UZI IMD 2.22222
31 4TS1 TYR 2.22222
32 2F57 23D 2.22222
33 2ART LPA AMP 2.29008
34 1KGI T4A 2.3622
35 3FJG 3PG 2.39044
36 3TTZ 07N 2.52525
37 2Z3U CRR 2.59259
38 4USF 6UI 2.59259
39 2IU8 PLM 2.59259
40 3BP1 GUN 2.59259
41 2WQN ADP 2.59259
42 4Y4V DAL 2.59259
43 5VNF VAL THR SER VAL VAL 2.59259
44 1H5R THM 2.59259
45 1A5Z FBP 2.59259
46 3QH2 3NM 2.71493
47 5AN1 GSH 2.73973
48 5EJL C2E 2.82258
49 1SJN DUP 2.94118
50 2E5A LAQ 2.96296
51 5LUN OGA 2.96296
52 4X1Z FUC GAL NDG 2.96296
53 6H45 QEI 2.96296
54 5FPN KYD 2.96296
55 5XIO HFG 2.96296
56 1GJW GLC 2.96296
57 3GTD MLI 2.96296
58 4CS4 AXZ 2.96296
59 4PJ3 ANP 2.96296
60 4IDT T28 2.96296
61 5HTX ADP 2.96296
62 1WM1 PTB 2.96296
63 1ZY5 ANP 2.96296
64 5FUS DAO 2.96296
65 2WPB ZZI 2.96296
66 4L50 D8X 3.00752
67 5Z2F PDC 3.01887
68 5J75 6GQ 3.0303
69 3EJ0 11X 3.06122
70 1UKG MMA 3.1746
71 1C3V PDC 3.26531
72 4P83 U5P 3.2967
73 1F9V ADP 3.33333
74 4OE4 NAD 3.33333
75 2OJW ADP 3.33333
76 6F5W KG1 3.33333
77 5WL1 CUY 3.33333
78 5WL1 D3D 3.33333
79 2Z49 AMG 3.33333
80 6BXO SAH 3.33333
81 4IHQ ADP 3.33333
82 3TEG DAH 3.33333
83 2CYB TYR 3.33333
84 2RCU BUJ 3.33333
85 5UE4 5XQ 3.38983
86 5KJW 53C 3.51288
87 3CBC DBS 3.53535
88 4YJK URA 3.57143
89 6G5J EM8 3.63636
90 5D9G GLU ASN LEU TYR PHE GLN 3.65854
91 3IWJ NAD 3.7037
92 1YFS ALA 3.7037
93 5MST AMP 3.7037
94 3B6R ADP 3.7037
95 4KSY 1SY 3.71901
96 1I7M CG 3.74532
97 5TV6 PML 3.75
98 2PR5 FMN 3.78788
99 1GXS DKA 3.79747
100 4DDY DN6 3.80228
101 3NZ1 3NY 3.83142
102 2Z6D FMN 3.84615
103 5HWV MBN 3.84615
104 2Z6C FMN 3.87597
105 3UWB BB2 3.8961
106 4YKI GLY 3.90625
107 3WSG CIT 3.96825
108 4HDK 13X 4
109 5JJU AMP 4.07407
110 4GCZ FMN 4.07407
111 1GPM CIT 4.07407
112 5N9X THR 4.07407
113 6EWZ APC 4.07407
114 4I9B NAD 4.07407
115 1GPM AMP 4.07407
116 3V8S 0HD 4.07407
117 3RSJ NGA GAL SIA 4.07407
118 2BWN SIN 4.07407
119 5H6S HDH 4.07407
120 1CZA GLC 4.07407
121 2V0U FMN 4.10959
122 5DJT FMN 4.13793
123 4QAC KK3 4.14747
124 5O3Q CMP 4.16667
125 5LXT GTP 4.1958
126 4RKX 3S9 4.21456
127 4MOB ADP 4.21687
128 3P7N FMN 4.26357
129 6GG9 FMN 4.32099
130 4NG2 OHN 4.34783
131 4OWK NGA 4.34783
132 2P3I MNA 4.34783
133 4WOE ADP 4.44444
134 1OFL NGK GCD 4.44444
135 1QNR MAB 4.44444
136 3REU ATP 4.44444
137 5VAD PRO 4.44444
138 1X8X TYR 4.44444
139 4C2W ANP 4.44444
140 1NE7 AGP 4.44444
141 5CK5 GDP 4.44444
142 2RC8 DSN 4.44444
143 5KVA SAM 4.44444
144 5A89 FMN 4.48718
145 1RYD GLC 4.65116
146 3QXV MTX 4.7619
147 3A7R LAQ 4.81482
148 1SDW IYT 4.81482
149 5TVF CGQ 4.81482
150 2CZL TLA 4.81482
151 2POC UD1 4.81482
152 4KBA 1QM 4.81482
153 4HWT 1B2 4.81482
154 4YRI 4JH 4.81482
155 3JU6 ANP 4.81482
156 3NEM ATP 4.81482
157 1J71 THR ILE THR SER 4.81482
158 4NS3 NAD 4.81482
159 4G9N NGA 4.8951
160 4R29 SAM 4.91071
161 5DJU FMN 4.91803
162 2AGC DAO 4.93827
163 3IT6 ORN 5.02513
164 2CBZ ATP 5.06329
165 5F90 GLA GAL BGC 5VQ 5.12821
166 1E1O LYS 5.18518
167 5YSZ CBI 5.18518
168 5USZ SKE 5.18518
169 2HK9 ATR 5.18518
170 4EES FMN 5.21739
171 5AHW CMP 5.44218
172 1SBR VIB 5.5
173 5L2R MLA 5.55556
174 5YJS SAL 5.55556
175 3T1A 5MA 5.55556
176 2VGK REZ 5.55556
177 1LSH PLD 5.55556
178 3ICS ADP 5.55556
179 1U6R ADP 5.55556
180 4BG4 ADP 5.55556
181 3KYF 5GP 5GP 5.62771
182 3KIF GDL 5.66038
183 3DUV KDO 5.72519
184 4RYV ZEA 5.80645
185 2G30 ALA ALA PHE 5.81395
186 3GD8 GOL 5.8296
187 1PVC ILE SER GLU VAL 5.88235
188 1VJ7 GPX 5.92593
189 1VRP ADP 5.92593
190 3AB4 THR 5.92593
191 3NB0 G6P 5.92593
192 3A75 GLU 5.92593
193 2HJ4 PNZ 5.92593
194 5NXX 3Q7 5.97015
195 5DKK FMN 6.2069
196 2RDE C2E 6.2963
197 3G1Z AMP 6.2963
198 2I4O ATP 6.2963
199 3KYG 5GP 5GP 6.2963
200 4RF7 ARG 6.2963
201 3A5Z KAA 6.2963
202 2NV2 GLN 6.2963
203 1LVW TYD 6.2963
204 2YVJ NAI 6.2963
205 3TK1 GDP 6.2963
206 3A5Y KAA 6.2963
207 1F5F DHT 6.34146
208 1B4P GPS 6.45161
209 1W8S FBP 6.46388
210 4J0Q GDP 6.46651
211 2YKL NLD 6.60377
212 2QHV OC9 6.66667
213 5MRH Q9Z 6.66667
214 3VGL BGC 6.66667
215 4QS9 BGC 6.66667
216 3DEF GDP 6.66667
217 3MF2 AMP 6.66667
218 3WLV AZA 6.73077
219 5M6N 7H9 6.77966
220 4LO2 GAL BGC 6.80272
221 4HIA FMN 6.81818
222 3SAO DBH 6.875
223 5OCG 9R5 6.87831
224 3T50 FMN 7.03125
225 2I56 RNS 7.03704
226 4RUS NAG 7.14286
227 4RUS NDG 7.14286
228 5EYW PGA 7.22892
229 1N9L FMN 7.33945
230 2QPU QPU 7.40741
231 2QPU QPS 7.40741
232 5C03 AGS 7.40741
233 1RV0 NDG 7.5
234 6FA4 D1W 7.51445
235 1B7A OPE 7.52688
236 2J9D ADP 7.56302
237 5F6U 5VK 7.64331
238 4H2X G5A 7.76699
239 1TIQ COA 7.77778
240 1BW9 NAD 7.77778
241 1RQH PYR 7.77778
242 3KVY URA 7.77778
243 3L9W AMP 7.77778
244 4CR6 MAN 7.77778
245 3LF0 ATP 7.89474
246 5UKL SIX 8.06452
247 3E9I XAH 8.14815
248 5EFW FMN 8.33333
249 1UYY BGC BGC 8.39695
250 3NCQ ATP 8.40336
251 4USI ATP 8.44156
252 4FE2 AIR 8.51852
253 1T5C ADP 8.51852
254 3A76 SPD 8.52273
255 5TBM 79A 8.54701
256 3UW4 MAA CHG PRO 0DQ 8.69565
257 1UBY DMA 8.88889
258 5XLY C2E 8.88889
259 1T5B FMN 8.95522
260 3K56 IS3 9.02256
261 3ACL 3F1 9.12162
262 3CM2 X23 9.23077
263 3K1X DBX 9.23077
264 1UJ5 5RP 9.2511
265 5CPR 539 9.32836
266 4WUJ FMN 9.52381
267 3WXL ADP 9.62963
268 1HE1 AF3 9.65909
269 4GDX GLU 9.74359
270 3KFF ZBT 9.87654
271 3KFF XBT 9.87654
272 2WME NAP 10
273 2J3M PRI 10
274 5N5U 7N8 10
275 2J3M ATP 10
276 1S17 GNR 10
277 5SVV FMN 10.219
278 6GBV FMN 10.274
279 5Y4R C2E 10.3448
280 1VL1 CIT 10.3448
281 5DYO FLU 10.3774
282 4IEN GDP 10.4294
283 2CE7 ADP 10.7407
284 3U6B GDP 10.7407
285 4P3Y GDP 10.7407
286 2HCJ GDP 10.7407
287 3HQP ATP 10.7407
288 1OW3 GDP 10.8808
289 5C83 4YN 10.9091
290 1GRN AF3 10.9948
291 1G51 AMP 11.1111
292 1KK1 GNP 11.1111
293 4K55 H6P 11.2903
294 5IRC GDP 11.2903
295 5T8U LPA 11.4815
296 2GQS C2R 11.8143
297 3O8M BGC 11.8519
298 3O8M GLC 11.8519
299 4SGA ACE PRO ALA PRO PHE 12.1547
300 2PNC CLU 12.2222
301 1VBO MAN MAN MAN 12.7517
302 3IWD M2T 12.9032
303 1A0J BEN 13.4529
304 2CJU PHX 14.0496
305 3VPB GLU 14.2857
306 4RT1 C2E 14.2857
307 5BSH PRO 14.8148
308 3H0L ADP 14.8936
309 2DC1 CIT 15.2542
310 1V3S ATP 16.3793
311 5FUI APY 16.6667
312 3UW5 MAA CHG PRO 0DQ 24.1379
313 5XG5 A2G 24.8276
314 1LNX URI 25.9259
315 3RF4 FUN 28.4483
Pocket No.: 2; Query (leader) PDB : 4XTX; Ligand: 590; Similar sites found with APoc: 88
This union binding pocket(no: 2) in the query (biounit: 4xtx.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 6B79 ORA None
2 5N2D 8J8 None
3 2ZX2 RAM None
4 1VAY AZA 1.85185
5 3TUR 6CL 2.22222
6 3BRE C2E 2.22222
7 5X7Q GLC GLC 2.59259
8 1T9D PYD 2.59259
9 2JGV ADP 2.59259
10 1H5R G1P 2.59259
11 4CS4 ANP 2.96296
12 5TUF TDC 2.96296
13 3MVH WFE 2.96296
14 4AG5 ADP 2.96296
15 3VKX T3 3.06513
16 3OQJ 3CX 3.11284
17 1Q8V MAN MAN 3.1746
18 2GND MAN 3.1746
19 5HCA BGC 3.33333
20 4F8L AES 3.44828
21 1Y7P RIP 3.58744
22 5EW9 5VC 3.7037
23 1PVS 7HP 3.7037
24 1WDK N8E 3.7037
25 5LHT TIH 3.7037
26 1KQR MNA 3.91061
27 5M37 9SZ 3.91304
28 1CZA G6P 4.07407
29 3FSY SCA 4.07407
30 2OHH FMN 4.07407
31 4WXJ GLU 4.08922
32 4B0T ADP 4.25963
33 1CT9 GLN 4.44444
34 5HY1 WDL 4.44444
35 2P0D I3P 4.65116
36 1ULE GLA GAL NAG 4.66667
37 5W75 SUC 4.81482
38 4MZU TDR 4.81482
39 2J9L ATP 4.86486
40 2BKX F6R 4.95868
41 4WCX MET 5.18518
42 2CHT TSA 5.51181
43 2YLN CYS 5.55556
44 3DLG GWE 5.55556
45 4FBL SPD 5.55556
46 1KC7 PPR 5.55556
47 1OFZ FUC 5.55556
48 1QKQ MAN 5.6338
49 5TZO 7V7 5.92593
50 2HZL PYR 5.92593
51 1J2Z SOG 5.92593
52 3M6P BB2 6.21762
53 4TQK NAG 6.2963
54 5CIC 51R 6.48148
55 2PFC PLM 6.55738
56 2JBH 5GP 6.66667
57 1H65 GDP 6.66667
58 1DAR GDP 6.66667
59 4YMZ 13P 6.77291
60 2AF6 BRU 6.97674
61 2VL1 GLY GLY 7.03704
62 4L3L 5FI 7.03704
63 6FRN FMN 7.03704
64 5CGE 51F 7.40741
65 3C8E GSH 7.40741
66 1RVX SIA GAL NAG 7.5
67 2W58 ADP 7.92079
68 2WJG GDP 7.97872
69 2WCU FUC 8.05369
70 6DXS HJ7 8.88889
71 5IFS ADP 8.88889
72 4IF4 BEF 9.13461
73 3A16 PXO 10.3704
74 3HQP OXL 10.7407
75 3HQP FDP 10.7407
76 5DQW ADP 11.8483
77 3RLF MAL 12.5926
78 1B4B ARG 12.6761
79 1VBO MAN 12.7517
80 5VM6 9EG 13.1387
81 5E62 Z3Q GAL 5N6 13.3333
82 5L8L ADP 13.6752
83 2JK0 ASP 13.7037
84 1XKV ATP 13.7037
85 1MFI FHC 14.0351
86 6HKE LMR 16.2963
87 3JQM GTP 21.6561
88 2XN5 FUN 34.2857
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