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Receptor
PDB id Resolution Class Description Source Keywords
3D4B 1.9 Å EC: 3.5.1.- CRYSTAL STRUCTURE OF SIR2TM IN COMPLEX WITH ACETYL P53 PEPTIDE AND DADME-NAD+ THERMOTOGA MARITIMA ROSSMANN FOLD CYTOPLASM HYDROLASE METAL-BINDING NAD ZINC
Ref.: STRUCTURAL INSIGHTS INTO INTERMEDIATE STEPS IN THE SIR2 DEACETYLATION REACTION. STRUCTURE V. 16 1368 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DZD A:1002;
 Valid;
 none;
 submit data
657.507 C24 H33 N7 O11 P2 c1cc(...
THR SER ARG HIS LYS ALY LEU MET ALA D:6;
 Valid;
 none;
 submit data
1115.37 n/a S(CCC...
ZN A:1001;
 Part of Protein;
 none;
 submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4BUZ 1.9 Å EC: 3.5.1.- SIR2 COMPLEX STRUCTURE MIXTURE OF EX-527 INHIBITOR AND REACTION PRODUCTS OR OF REACTION SUBSTRATES P53 PEPTIDE AND THERMOTOGA MARITIMA HYDROLASE NAD-DEPENDENT DEACETYLASE SIRTUIN INHIBITOR COMEX-527 RUNNING REACTION
Ref.: EX-527 INHIBITS SIRTUINS BY EXPLOITING THEIR UNIQUE NAD+-DEPENDENT DEACETYLATION MECHANISM PROC.NATL.ACAD.SCI.USA V. 110 E2772 2013
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 31 families.
1 4BUZ - OAD C17 H25 N5 O15 P2 CC(=O)O[C@....
2 3D4B - THR SER ARG HIS LYS ALY LEU MET ALA n/a n/a
3 3D81 - SER ARG HIS LYS FZN LEU MET PHE n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 28 families.
1 4BUZ - OAD C17 H25 N5 O15 P2 CC(=O)O[C@....
2 3D4B - THR SER ARG HIS LYS ALY LEU MET ALA n/a n/a
3 3D81 - SER ARG HIS LYS FZN LEU MET PHE n/a n/a
50% Homology Family (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 4BUZ - OAD C17 H25 N5 O15 P2 CC(=O)O[C@....
2 3D4B - THR SER ARG HIS LYS ALY LEU MET ALA n/a n/a
3 3D81 - SER ARG HIS LYS FZN LEU MET PHE n/a n/a
4 1S5P Kd = 0.44 uM LYS GLY GLY ALA ALY ARG HIS ARG n/a n/a
5 1M2K - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
6 1M2J - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
7 1M2G - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
8 1ICI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
9 1M2H - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
10 6EQS - BV8 C47 H63 N11 O19 P2 S CC(C)NC(=O....
11 2NYR - SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
12 4G1C - CNA C22 H30 N7 O13 P2 c1cc(c[n+]....
13 6FLG ic50 = 30.3 nM GZB VAL LEU DQK GLU TYR GLY VAL n/a n/a
14 6ENX - BJW C48 H64 N10 O19 P2 S CC(C)NC(=O....
15 6EO0 - BVT C47 H63 N11 O19 P2 S CC(C)NC(=O....
16 4UTV Ki = 100 uM BEZ GLY VAL LEU LYS GLU TYR GLY VAL FSL n/a n/a
17 1S7G - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
18 1YC2 - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DZD; Similar ligands found: 185
No: Ligand ECFP6 Tc MDL keys Tc
1 DZD 1 1
2 APC 0.577982 0.923077
3 RBY 0.572727 0.923077
4 ADV 0.572727 0.923077
5 DQV 0.564516 0.922078
6 A12 0.560748 0.923077
7 AP2 0.560748 0.923077
8 OOB 0.547009 0.897436
9 ACP 0.540541 0.910256
10 00A 0.537815 0.853659
11 ACQ 0.535088 0.910256
12 A2D 0.527778 0.909091
13 6YZ 0.521368 0.910256
14 BA3 0.518182 0.909091
15 CA0 0.517857 0.886076
16 AU1 0.517857 0.8625
17 M33 0.517857 0.873418
18 TAD 0.515625 0.901235
19 AMP 0.514019 0.858974
20 A 0.514019 0.858974
21 ABM 0.513761 0.8375
22 AP5 0.513514 0.909091
23 B4P 0.513514 0.909091
24 ADP 0.513514 0.884615
25 DLL 0.512397 0.897436
26 AN2 0.508929 0.873418
27 AT4 0.508929 0.851852
28 5AL 0.504274 0.873418
29 B5V 0.504065 0.875
30 9SN 0.504 0.843373
31 CNA 0.503704 0.898734
32 ATP 0.5 0.884615
33 HEJ 0.5 0.884615
34 3UK 0.495935 0.886076
35 SRP 0.495798 0.875
36 AQP 0.495652 0.884615
37 AR6 0.495652 0.884615
38 APR 0.495652 0.884615
39 5FA 0.495652 0.884615
40 WAQ 0.491935 0.9
41 SAP 0.491379 0.841463
42 AD9 0.491379 0.8625
43 AGS 0.491379 0.841463
44 ADX 0.491228 0.802326
45 M24 0.489362 0.823529
46 B5M 0.488189 0.864198
47 1ZZ 0.488 0.835294
48 3OD 0.488 0.886076
49 50T 0.486957 0.85
50 9ZD 0.483607 0.831325
51 9ZA 0.483607 0.831325
52 ANP 0.483051 0.8625
53 GAP 0.483051 0.8625
54 PRX 0.482759 0.839506
55 SRA 0.481818 0.817073
56 NXX 0.481203 0.898734
57 DND 0.481203 0.898734
58 TXD 0.481203 0.948718
59 NAX 0.481203 0.86747
60 PR8 0.48 0.890244
61 PAJ 0.479675 0.833333
62 A3R 0.479675 0.924051
63 4AD 0.479675 0.8875
64 A1R 0.479675 0.924051
65 LAQ 0.477273 0.835294
66 B5Y 0.476562 0.864198
67 FA5 0.476562 0.898734
68 TXA 0.47619 0.875
69 AHX 0.475806 0.865854
70 ATF 0.475 0.851852
71 NAD 0.47482 0.897436
72 OAD 0.472 0.886076
73 8QN 0.471545 0.873418
74 SON 0.469565 0.898734
75 LAD 0.468254 0.878049
76 AMO 0.467742 0.898734
77 TXE 0.466667 0.924051
78 ADP PO3 0.466102 0.858974
79 YAP 0.465116 0.8875
80 FYA 0.464567 0.897436
81 A22 0.463415 0.897436
82 DAL AMP 0.463415 0.85
83 4TC 0.463235 0.9125
84 XAH 0.461538 0.857143
85 MYR AMP 0.460938 0.813953
86 9X8 0.460317 0.841463
87 6V0 0.459259 0.888889
88 NAI 0.459259 0.876543
89 T99 0.458333 0.851852
90 TAT 0.458333 0.851852
91 A3D 0.457746 0.886076
92 ADQ 0.456 0.886076
93 OMR 0.455882 0.847059
94 AMP NAD 0.453901 0.873418
95 NB8 0.453125 0.865854
96 ME8 0.453125 0.835294
97 PTJ 0.453125 0.821429
98 BIS 0.453125 0.831325
99 F0P 0.452555 0.814815
100 LPA AMP 0.451852 0.813953
101 BT5 0.450704 0.827586
102 5SV 0.448 0.821429
103 25A 0.448 0.884615
104 ADP VO4 0.447154 0.85
105 VO4 ADP 0.447154 0.85
106 TYR AMP 0.44697 0.864198
107 IOT 0.446043 0.848837
108 TYM 0.445255 0.898734
109 4UU 0.440298 0.864198
110 MAP 0.44 0.841463
111 ALF ADP 0.439024 0.797619
112 ADP ALF 0.439024 0.797619
113 AOC 0.438596 0.772152
114 25L 0.438462 0.897436
115 4UW 0.437956 0.833333
116 UP5 0.437956 0.8875
117 80F 0.4375 0.837209
118 4UV 0.43609 0.864198
119 A A 0.434109 0.860759
120 LMS 0.433628 0.761364
121 T5A 0.432624 0.880952
122 ATP A A A 0.431818 0.871795
123 48N 0.430657 0.865854
124 YLP 0.430657 0.858824
125 7MD 0.42963 0.879518
126 ARG AMP 0.42963 0.804598
127 ZID 0.42953 0.886076
128 A3P 0.42735 0.858974
129 G5A 0.42623 0.777778
130 NAE 0.425676 0.864198
131 AMP DBH 0.425373 0.839506
132 EAD 0.423841 0.845238
133 G3A 0.422222 0.865854
134 AP0 0.421429 0.843373
135 52H 0.420635 0.73913
136 9K8 0.419847 0.697917
137 AFH 0.419118 0.855422
138 G5P 0.419118 0.865854
139 GA7 0.419118 0.875
140 PAP 0.418033 0.871795
141 F2R 0.416667 0.837209
142 GTA 0.416058 0.835294
143 ADP BMA 0.415385 0.8625
144 COD 0.413793 0.850575
145 NAQ 0.413333 0.843373
146 AHZ 0.413043 0.772727
147 NDE 0.412903 0.875
148 P1H 0.412903 0.825581
149 139 0.412587 0.890244
150 ADJ 0.412587 0.891566
151 5AS 0.411765 0.758242
152 7MC 0.411348 0.858824
153 YLC 0.411348 0.857143
154 YLB 0.411348 0.858824
155 54H 0.409449 0.747253
156 VMS 0.409449 0.747253
157 JB6 0.409091 0.876543
158 A4P 0.408451 0.818182
159 5N5 0.407407 0.769231
160 53H 0.40625 0.73913
161 8X1 0.40625 0.752688
162 TSB 0.40625 0.775281
163 NAJ PZO 0.405405 0.821429
164 9JJ 0.404762 0.835294
165 A5A 0.404762 0.764045
166 4TA 0.40411 0.847059
167 0WD 0.40411 0.865854
168 BTX 0.40411 0.837209
169 5CD 0.40367 0.734177
170 A4D 0.40367 0.746835
171 YLA 0.402778 0.858824
172 ADN 0.401869 0.769231
173 RAB 0.401869 0.769231
174 XYA 0.401869 0.769231
175 DTA 0.401786 0.7625
176 SSA 0.401575 0.777778
177 P5A 0.401515 0.782609
178 7C5 0.40146 0.771084
179 UPA 0.401408 0.876543
180 N0B 0.401316 0.880952
181 8PZ 0.4 0.797753
182 DSZ 0.4 0.777778
183 AYB 0.4 0.848837
184 YLY 0.4 0.848837
185 LSS 0.4 0.741935
Ligand no: 2; Ligand: THR SER ARG HIS LYS ALY LEU MET ALA; Similar ligands found: 62
No: Ligand ECFP6 Tc MDL keys Tc
1 THR SER ARG HIS LYS ALY LEU MET ALA 1 1
2 ARG HIS LYS ALY LEU MET PHE LYS 0.629371 0.84058
3 LYS GLY GLY ALA ALY ARG HIS ARG 0.527027 0.811594
4 ILE LEU MET GLU HIS ILE HIS LYS LEU 0.524138 0.771429
5 ILE LEU GLY LYS PHE LEU HIS ARG LEU 0.523179 0.763889
6 GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 0.513514 0.774648
7 ILE LEU ALA LYS PHE LEU HIS ARG LEU 0.509804 0.757143
8 GLY ALA ARG ALA HIS SER SER 0.507353 0.867647
9 LYS GLY GLY ALA ALY ARG HIS ARG LYS VAL 0.507143 0.794118
10 LYS ILE LEU HIS ARG LEU LEU GLN ASP SER 0.5 0.855072
11 HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.496732 0.757143
12 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.496689 0.788732
13 ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP 0.489796 0.791045
14 ALA LYS PHE ARG HIS ASP 0.48951 0.757143
15 ARG ARG LYS TRP CIR ARG TRP HIS LEU 0.483871 0.777778
16 LYS GLY GLY ALA ALY ARG HIS ARG LYS ILE 0.483871 0.782609
17 GLU LEU ARG ARG LYS MET MET TYR MET 0.482993 0.788732
18 ACE CSO ARG ALA THR LYS MET LEU 0.482759 0.77027
19 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.48125 0.785714
20 SER ARG ASP HIS SER ARG THR PRO MET 0.479042 0.866667
21 ACE ARG HIS LYS ALY MCM 0.474359 0.716049
22 ALA LYS ARG HIS ARG MLY VAL LEU ARG ASP 0.467949 0.828571
23 ARG HIS LYS FDL 0.464516 0.703704
24 ALA LYS ARG HIS ARG MLZ VAL LEU ARG ASP 0.464052 0.865672
25 ALA ILE LEU HIS ARG LEU LEU GLN 0.456376 0.753623
26 ACE ARG HIS ALY ALY MCM 0.450331 0.703704
27 THR PHE ALY SER ILE MET LYS 0.448718 0.753623
28 ILE LEU ALA LYS PHE LEU HIS THR LEU 0.448718 0.785714
29 PHE ASN GLU LEU SER HIS LEU 0.444444 0.764706
30 ARG ARG ARG TRP HIS ARG TRP ARG LEU 0.443709 0.774648
31 ARG HIS ARG MLY VAL LEU ARG ASP ASN 0.443038 0.873239
32 ALA SER ASN GLU HIS MET GLU THR MET 0.442953 0.852941
33 ILE LEU ALA LYS PHE LEU HIS GLU LEU 0.43871 0.704225
34 GLU LEU LYS ARG LYS MET ILE TYR MET 0.4375 0.763889
35 VAL LEU HIS ASP ASP LEU LEU GLU ALA 0.434783 0.691176
36 ASN ARG LEU MET LEU THR GLY 0.428571 0.808824
37 THR ARG SER GLY ALY VAL MET ARG ARG LEU 0.427586 0.724638
38 SER HIS MET ALA GLU ILE 0.427481 0.80597
39 MET ABA LEU ARG MET THR ALA VAL MET 0.426667 0.794118
40 ARG HIS ARG MLY VAL LEU ARG ASP TYR 0.42515 0.84
41 ALA ARG LYS LEU ASP 0.423077 0.691176
42 GLU LEU ASN ARG LYS MET ILE TYR MET 0.422619 0.805556
43 VAL ARG SER ARG ARG CYS LEU ARG LEU 0.422222 0.776119
44 LYS ARG ARG ARG HIS PRO SER GLY 0.421384 0.746667
45 HIS LYS LEU VAL GLN LEU LEU THR THR THR 0.42 0.823529
46 LYS SER HIS GLN GLU 0.41844 0.75
47 MET CYS LEU ARG MET THR ALA VAL MET 0.418301 0.820895
48 HIS HIS ALA SER PRO ARG LYS 0.418182 0.733333
49 ARG ARG LEU LEU ARG GLY HIS ASN GLN TYR 0.418182 0.808219
50 SER SER ARG LYS GLU TYR TYR ALA 0.416667 0.671233
51 SER ARG HIS LYS FZN LEU MET PHE 0.41629 0.683673
52 HIS SER LYS LYS LYS CYS ASP GLU LEU 0.414474 0.838235
53 2X0 7GA LYS HIS HIS ALA PHE SER PHE LYN 0.413174 0.727273
54 ILE ARG LYS ILE LEU PHE LEU ASP GLY ILE 0.412121 0.704225
55 ARG ILE ILE PRO ARG HIS LEU GLN LEU 0.411765 0.736842
56 SER HIS LYS ILE ASP ASN LEU ASP 0.411392 0.811594
57 SER LEU LYS LEU MET THR THR VAL 0.408759 0.746269
58 VAL ARG SER ARG ARG ABA LEU ARG LEU 0.405797 0.75
59 ARG HIS ARG MLZ VAL LEU ARG ASP ASN TYR 0.405714 0.888889
60 ARG ARG ALA THR LYS MET NH2 0.402778 0.80597
61 ALA ARG THR GLU LEU TYR ARG SER LEU 0.401274 0.774648
62 ACE ALC ARG ALA MET CY1 SER LEU NH2 0.401235 0.802817
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4BUZ; Ligand: OCZ; Similar sites found with APoc: 224
This union binding pocket(no: 1) in the query (biounit: 4buz.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
1 1DCP HBI None
2 5V6F MAN BMA MAN None
3 2BOS GLA GAL GLC NBU None
4 2BOS GLA GAL GLC None
5 4JGP PYR None
6 2ZX2 RAM None
7 1RDS GPC None
8 4LZB URA 1.2605
9 3C3Y SAH 1.26582
10 3OFK SAH 1.38889
11 1GPE FAD 1.62602
12 1DJL NAP 1.93237
13 3VYW SAM 2.03252
14 2GN2 C5P 2.03252
15 3RFV NAI 2.03252
16 3LL5 IP8 2.03252
17 3RFV 15L 2.03252
18 1D4O NAP 2.17391
19 4KGD FAD 2.43902
20 4KGD TDP 2.43902
21 3BP1 GUN 2.43902
22 3GWZ SAH 2.43902
23 4KRI SAH 2.43902
24 3WKG BGC BMA 2.43902
25 4A59 AMP 2.43902
26 3BJC WAN 2.43902
27 6DNT NAD 2.43902
28 3GXO SAH 2.43902
29 5WP5 SAH 2.43902
30 2XYQ SAH 2.43902
31 5E9G GLV 2.43902
32 3TKY SAH 2.43902
33 1A8U BEZ 2.52708
34 5LOG SAH 2.57511
35 5U55 S0H 2.63158
36 5WHU SIA 2.68456
37 5WHU SIA GAL GLC 2.68456
38 3DXY SAM 2.75229
39 2HMT NAI 2.77778
40 1PZM 5GP 2.8436
41 2UYQ SAM 2.84553
42 3GU3 SAH 2.84553
43 3O7W SAM 2.84553
44 5H6S HDH 2.84553
45 4NBW NAD 2.84553
46 1XDS SAM 2.84553
47 5FA5 MTA 2.84553
48 5KOK SAH 2.84553
49 1FP2 SAH 2.84553
50 4V36 LYN 2.84553
51 1QZZ SAM 2.84553
52 1ZEM NAD 2.84553
53 1QS8 IVA VAL VAL STA ALA STA 2.84553
54 3TTN SPD 2.84553
55 4HXY NDP 2.84553
56 3DKP ADP 2.85714
57 1IM8 SAI 2.86885
58 4WS6 WBU 2.94118
59 4FGC PQ0 3.0303
60 6DUB SAH 3.15315
61 3DEF GDP 3.25203
62 4KIB SAH 3.25203
63 3B9Q MLI 3.25203
64 2ATJ BHO 3.25203
65 3I9U DTU 3.25203
66 4RDH AMP 3.25203
67 4YAC NAI 3.25203
68 2EB5 OXL 3.25203
69 2CE7 ADP 3.25203
70 4RDI ATP 3.25203
71 2OG2 MLI 3.25203
72 1NAA ABL 3.25203
73 1NAA 6FA 3.25203
74 1Y13 BIO 3.31492
75 2XVM SAH 3.51759
76 4L2I FAD 3.65854
77 2BHZ MAL 3.65854
78 3DUV KDO 3.65854
79 1P77 ATR 3.65854
80 5BW4 SAM 3.65854
81 5E9W SAH 3.65854
82 4KRG SAH 3.65854
83 3FXU TSU 3.65854
84 4G6I RS3 3.80952
85 3L9W AMP 4.06504
86 1V5F TPP 4.06504
87 1V5F FAD 4.06504
88 3EYK EYK 4.06504
89 2V3V MGD 4.06504
90 6FDF SAH 4.06504
91 4BTV RB3 4.06504
92 1FP1 SAH 4.06504
93 1G8K MGD 4.06504
94 4MOP 2H5 4.06504
95 1SQL GUN 4.10959
96 3LN9 FLC 4.31655
97 4D5G TPP 4.47154
98 4D5G FAD 4.47154
99 3VSE SAH 4.47154
100 1YXM ADE 4.47154
101 5HJM MTA 4.47154
102 2Z3U CRR 4.47154
103 4YAG NAI 4.47154
104 1RJD SAM 4.47154
105 6C8R SAH 4.47154
106 1J71 THR ILE THR SER 4.87805
107 5F8F SFG 4.87805
108 2YX1 SFG 4.87805
109 1X87 NAD 4.87805
110 1IGW PYR 4.87805
111 5THY SAH 4.87805
112 5X62 SAH 4.87805
113 3LRE ADP 4.87805
114 3MBI ADP 4.87805
115 4R8L ASP 4.87805
116 1O5Q PYR 4.87805
117 1NW5 SAM 4.87805
118 5FPE 3TR 4.87805
119 4D79 ATP 4.87805
120 3VC1 SAH 4.87805
121 1G6H ADP 4.87805
122 3BXO SAM 5.02092
123 1NBU PH2 5.04202
124 1YBH FAD 5.28455
125 6CB2 OLC 5.28455
126 1NSA BEN 5.28455
127 5Z20 OXM 5.28455
128 1UDH URA 5.32787
129 1P19 IMP 5.42986
130 1T9D PYD 5.613
131 1T9D 1MM 5.613
132 1T9D P25 5.613
133 1T9D FAD 5.613
134 2QQC AG2 5.66038
135 6DEN FAD 5.69106
136 6DEN TP9 5.69106
137 6DEN G8A 5.69106
138 1EFV FAD 5.69106
139 5DNK SAH 5.69106
140 1EFV AMP 5.69106
141 1GZ6 NAI 5.69106
142 1PJS NAD 5.69106
143 4N49 SAM 5.69106
144 2HNK SAH 5.69106
145 4ZRN NAD 5.69106
146 4ZRN UPG 5.69106
147 1N13 AG2 5.76923
148 1UAY ADN 5.78512
149 2C3W GLC GLC GLC GLC 5.88235
150 5X7Q GLC GLC GLC GLC 6.09756
151 5X7Q GLC GLC GLC 6.09756
152 2WA2 SAM 6.09756
153 2AOT SAH 6.09756
154 3LGS ADE 6.09756
155 3ZV6 NAD 6.09756
156 3ZV6 4HB 6.09756
157 1JA9 PYQ 6.09756
158 2VO4 4NM 6.39269
159 3JWH SAH 6.45161
160 5YLF BGC 6.50407
161 4NEC SAH 6.50407
162 1R27 MGD 6.50407
163 5WP4 SAH 6.50407
164 2BGM NAJ 6.50407
165 5AO7 AH0 NAG 6.50407
166 5K7U SAM 6.91057
167 4X7Y SAH 6.91057
168 6C0B MLI 7.05128
169 5IL1 SAM 7.07547
170 3B8I OXL 7.31707
171 5E1M SAH 7.46888
172 2EG5 SAH 7.72358
173 1ZQ9 SAM 8.13008
174 2XSB GDL 8.13008
175 4QTU SAM 8.14815
176 4U00 ADP 8.19672
177 3ZH4 FLC 8.53659
178 3T7S SAM 8.53659
179 2B6N ALA PRO THR 8.53659
180 4M1U A2G MBG 8.57143
181 3SCH TB6 8.58586
182 5W3X ACO 8.75
183 6EGU 43Y 8.94309
184 4DE3 DN8 8.94309
185 6B9T 2HE 9.19037
186 1HGX 5GP 9.28962
187 3F81 STT 9.28962
188 2C31 ADP 9.34959
189 2C31 TZD 9.34959
190 2VDV SAM 9.34959
191 3BGD SAH 9.34959
192 1G60 SAM 9.7561
193 4DMG SAM 10.1626
194 5KVA SAM 10.1626
195 3EGI ADP 10.1942
196 1EJ0 SAM 10.5556
197 2JK0 ASP 11.3821
198 4CQM NAP 11.4754
199 2ZFU SAH 11.6279
200 3EYA FAD 11.7886
201 1O97 FAD 12.1212
202 1O97 AMP 12.1212
203 1PVS 7HP 12.1951
204 2GKS ADP 13.0081
205 4Y9D NAI 13.4146
206 1N4K I3P 13.4146
207 1L3I SAH 14.0625
208 3IP8 B85 14.2276
209 4HZ0 1AV 14.554
210 5WKC FAD 15.4472
211 4YDD MD1 15.4472
212 4YDD MGD 15.4472
213 1HTW ADP 15.8228
214 1KYQ NAD 15.8537
215 5E8J SAH 15.9091
216 1NM5 NAP 16.2562
217 1NM5 NAD 16.2562
218 5F1H 5U6 16.2602
219 2Q28 ADP 17.8862
220 1PNO NAP 18.3333
221 2OOR TXP 18.9655
222 1G7C 5GP 21.2766
223 1LSS NAD 22.1429
224 5A3B APR 28.0488
225 3U31 NAD 50
Pocket No.: 2; Query (leader) PDB : 4BUZ; Ligand: NAD; Similar sites found with APoc: 237
This union binding pocket(no: 2) in the query (biounit: 4buz.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 1DCP HBI None
2 5V6F MAN BMA MAN None
3 2BOS GLA GAL GLC NBU None
4 2BOS GLA GAL GLC None
5 4JGP PYR None
6 2ZX2 RAM None
7 1RDS GPC None
8 4LZB URA 1.2605
9 3C3Y SAH 1.26582
10 3OFK SAH 1.38889
11 1GPE FAD 1.62602
12 1DJL NAP 1.93237
13 1V59 NAD 2.03252
14 3RFV NAI 2.03252
15 3VYW SAM 2.03252
16 2GN2 C5P 2.03252
17 4JNA FAD 2.03252
18 3LL5 IP8 2.03252
19 1D4O NAP 2.17391
20 4KGD FAD 2.43902
21 4KGD TDP 2.43902
22 3BP1 GUN 2.43902
23 3GWZ SAH 2.43902
24 4KRI SAH 2.43902
25 6DNT NAD 2.43902
26 5MPT SAH 2.43902
27 4A59 AMP 2.43902
28 3BJC WAN 2.43902
29 3GXO SAH 2.43902
30 3CGD FAD 2.43902
31 3CGD COA 2.43902
32 3CGD NAD 2.43902
33 5WP5 SAH 2.43902
34 2EWM NAD 2.43902
35 2XYQ SAH 2.43902
36 2C5A NAD 2.43902
37 2C5A GDC 2.43902
38 3TKY SAH 2.43902
39 5LOG SAH 2.57511
40 5WHU SIA 2.68456
41 5WHU SIA GAL GLC 2.68456
42 3DXY SAM 2.75229
43 2HMT NAI 2.77778
44 1PZM 5GP 2.8436
45 2UYQ SAM 2.84553
46 3GU3 SAH 2.84553
47 5H6S HDH 2.84553
48 3O7W SAM 2.84553
49 1XDS SAM 2.84553
50 5KOK SAH 2.84553
51 1FP2 SAH 2.84553
52 4V36 LYN 2.84553
53 5FA5 MTA 2.84553
54 1QZZ SAM 2.84553
55 4HXY NDP 2.84553
56 1UWK URO 2.84553
57 1UWK NAD 2.84553
58 4NBW NAD 2.84553
59 1ZEM NAD 2.84553
60 1IM8 SAI 2.86885
61 4WS6 WBU 2.94118
62 4FGC PQ0 3.0303
63 6DUB SAH 3.15315
64 3DEF GDP 3.25203
65 4KIB SAH 3.25203
66 3B9Q MLI 3.25203
67 2ATJ BHO 3.25203
68 3I9U DTU 3.25203
69 4RDH AMP 3.25203
70 1NAA ABL 3.25203
71 1NAA 6FA 3.25203
72 4YAC NAI 3.25203
73 4GID 0GH 3.25203
74 2EB5 OXL 3.25203
75 1HSR BHO 3.25203
76 4RDI ATP 3.25203
77 2OG2 MLI 3.25203
78 2EFJ SAH 3.25203
79 1Y13 BIO 3.31492
80 2XVM SAH 3.51759
81 4L2I FAD 3.65854
82 2BHZ MAL 3.65854
83 3DUV KDO 3.65854
84 1P77 ATR 3.65854
85 5EXK 5AD 3.65854
86 5E9W SAH 3.65854
87 4KRG SAH 3.65854
88 1I2B UPG 3.65854
89 1I2B NAD 3.65854
90 1I2B USQ 3.65854
91 3FXU TSU 3.65854
92 4G6I RS3 3.80952
93 2POC UD1 3.81471
94 3L9W AMP 4.06504
95 1V5F FAD 4.06504
96 1V5F TPP 4.06504
97 2V3V MGD 4.06504
98 1G8K MGD 4.06504
99 1GY8 NAD 4.06504
100 6FDF SAH 4.06504
101 1JG9 GLC 4.06504
102 4BTV RB3 4.06504
103 2Q1S NAI 4.06504
104 4MOP 2H5 4.06504
105 1FP1 SAH 4.06504
106 1SQL GUN 4.10959
107 3ITJ CIT 4.14201
108 3LN9 FLC 4.31655
109 4D5G FAD 4.47154
110 4D5G TPP 4.47154
111 3VSE SAH 4.47154
112 1YXM ADE 4.47154
113 5HJM MTA 4.47154
114 2Z3U CRR 4.47154
115 4YAG NAI 4.47154
116 6C8R SAH 4.47154
117 1RJD SAM 4.47154
118 5LQ8 GB 4.60993
119 1J71 THR ILE THR SER 4.87805
120 5F8F SFG 4.87805
121 2YX1 SFG 4.87805
122 1X87 NAD 4.87805
123 5THY SAH 4.87805
124 5X62 SAH 4.87805
125 3LRE ADP 4.87805
126 4R8L ASP 4.87805
127 3MBI ADP 4.87805
128 4D79 ATP 4.87805
129 1NW5 SAM 4.87805
130 5FPE 3TR 4.87805
131 3VC1 SAH 4.87805
132 3BXO SAM 5.02092
133 1NBU PH2 5.04202
134 1YBH FAD 5.28455
135 6CB2 OLC 5.28455
136 1NSA BEN 5.28455
137 5Z20 OXM 5.28455
138 1P19 IMP 5.42986
139 1T9D PYD 5.613
140 1T9D 1MM 5.613
141 1T9D P25 5.613
142 1T9D FAD 5.613
143 2QQC AG2 5.66038
144 6DEN TP9 5.69106
145 6DEN FAD 5.69106
146 6DEN G8A 5.69106
147 1EFV FAD 5.69106
148 1EFV AMP 5.69106
149 5DNK SAH 5.69106
150 1PJS NAD 5.69106
151 4ZRN UPG 5.69106
152 4ZRN NAD 5.69106
153 4N49 SAM 5.69106
154 2P3V SRT 5.69106
155 1GZ6 NAI 5.69106
156 2HNK SAH 5.69106
157 1ZBQ NAD 5.69106
158 1ORR NAD 5.69106
159 1N13 AG2 5.76923
160 1UAY ADN 5.78512
161 5TVF PUT 5.88235
162 2C3W GLC GLC GLC GLC 5.88235
163 5X7Q GLC GLC GLC GLC 6.09756
164 5X7Q GLC GLC GLC 6.09756
165 2WA2 SAM 6.09756
166 2AOT SAH 6.09756
167 3ZV6 4HB 6.09756
168 3ZV6 NAD 6.09756
169 1EK6 UPG 6.09756
170 3LGS ADE 6.09756
171 1JA9 PYQ 6.09756
172 1EK6 NAI 6.09756
173 3JWH SAH 6.45161
174 5YLF BGC 6.50407
175 1R27 MGD 6.50407
176 1T0S BML 6.50407
177 4NEC SAH 6.50407
178 5WP4 SAH 6.50407
179 5AO7 AH0 NAG 6.50407
180 4X7Y SAH 6.91057
181 5K7U SAM 6.91057
182 6C0B MLI 7.05128
183 5IL1 SAM 7.07547
184 3B8I OXL 7.31707
185 1RLZ NAD 7.31707
186 1COY FAD 7.31707
187 5E1M SAH 7.46888
188 2EG5 SAH 7.72358
189 3KO8 NAD 7.72358
190 1ZQ9 SAM 8.13008
191 6F97 FAD 8.13008
192 2XSB GDL 8.13008
193 4QTU SAM 8.14815
194 4U00 ADP 8.19672
195 3T7S SAM 8.53659
196 2B6N ALA PRO THR 8.53659
197 6EGU 43Y 8.94309
198 4DE3 DN8 8.94309
199 1HGX 5GP 9.28962
200 3F81 STT 9.28962
201 2C31 ADP 9.34959
202 2C31 TZD 9.34959
203 2VDV SAM 9.34959
204 3BGD SAH 9.34959
205 2BZG SAH 9.48276
206 1G60 SAM 9.7561
207 4DMG SAM 10.1626
208 5KVA SAM 10.1626
209 3EGI ADP 10.1942
210 1EJ0 SAM 10.5556
211 2JK0 ASP 11.3821
212 4CQM NAP 11.4754
213 2ZFU SAH 11.6279
214 3EYA FAD 11.7886
215 1O97 FAD 12.1212
216 1O97 AMP 12.1212
217 1PVS 7HP 12.1951
218 3AB4 THR 12.9213
219 2GKS ADP 13.0081
220 4Y9D NAI 13.4146
221 1L3I SAH 14.0625
222 3IP8 B85 14.2276
223 4HZ0 1AV 14.554
224 4YDD MD1 15.4472
225 4YDD MGD 15.4472
226 5WKC FAD 15.4472
227 1HTW ADP 15.8228
228 1KYQ NAD 15.8537
229 5E8J SAH 15.9091
230 1NM5 NAP 16.2562
231 1NM5 NAD 16.2562
232 2Q28 ADP 17.8862
233 1PNO NAP 18.3333
234 2OOR TXP 18.9655
235 1G7C 5GP 21.2766
236 1LSS NAD 22.1429
237 5A3B APR 28.0488
238 3U31 NAD 50
Pocket No.: 3; Query (leader) PDB : 4BUZ; Ligand: OAD; Similar sites found with APoc: 229
This union binding pocket(no: 3) in the query (biounit: 4buz.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
1 1DCP HBI None
2 5V6F MAN BMA MAN None
3 2BOS GLA GAL GLC NBU None
4 2BOS GLA GAL GLC None
5 1RDS GPC None
6 4JGP PYR None
7 2ZX2 RAM None
8 5GWT NAD 1.21951
9 5GWT SIN 1.21951
10 4LZB URA 1.2605
11 3C3Y SAH 1.26582
12 3OFK SAH 1.38889
13 1GPE FAD 1.62602
14 1DJL NAP 1.93237
15 3VYW SAM 2.03252
16 2GN2 C5P 2.03252
17 3RFV NAI 2.03252
18 3LL5 IP8 2.03252
19 3RFV 15L 2.03252
20 1D4O NAP 2.17391
21 4KGD FAD 2.43902
22 4KGD TDP 2.43902
23 3BP1 GUN 2.43902
24 3GWZ SAH 2.43902
25 4KRI SAH 2.43902
26 4A59 AMP 2.43902
27 6DNT NAD 2.43902
28 3BJC WAN 2.43902
29 3GXO SAH 2.43902
30 5WP5 SAH 2.43902
31 2EWM NAD 2.43902
32 2XYQ SAH 2.43902
33 1KEW NAD 2.43902
34 3TKY SAH 2.43902
35 1A8U BEZ 2.52708
36 5LOG SAH 2.57511
37 1QK3 5GP 2.57511
38 5WHU SIA 2.68456
39 5WHU SIA GAL GLC 2.68456
40 3DXY SAM 2.75229
41 2HMT NAI 2.77778
42 1PZM 5GP 2.8436
43 2UYQ SAM 2.84553
44 3GU3 SAH 2.84553
45 5H6S HDH 2.84553
46 3O7W SAM 2.84553
47 4OKD GLC GLC GLC 2.84553
48 3TTM PUT 2.84553
49 1XDS SAM 2.84553
50 5FA5 MTA 2.84553
51 5KOK SAH 2.84553
52 1FP2 SAH 2.84553
53 4V36 LYN 2.84553
54 1QZZ SAM 2.84553
55 1ZEM NAD 2.84553
56 1QS8 IVA VAL VAL STA ALA STA 2.84553
57 4NBW NAD 2.84553
58 4HXY NDP 2.84553
59 3TTN SPD 2.84553
60 3DKP ADP 2.85714
61 1IM8 SAI 2.86885
62 4WS6 WBU 2.94118
63 4FGC PQ0 3.0303
64 6DUB SAH 3.15315
65 3DEF GDP 3.25203
66 4KIB SAH 3.25203
67 3B9Q MLI 3.25203
68 2ATJ BHO 3.25203
69 3I9U DTU 3.25203
70 4RDH AMP 3.25203
71 4YAC NAI 3.25203
72 2EB5 OXL 3.25203
73 1NAA 6FA 3.25203
74 1NAA ABL 3.25203
75 2CE7 ADP 3.25203
76 4RDI ATP 3.25203
77 2OG2 MLI 3.25203
78 2EFJ SAH 3.25203
79 1Y13 BIO 3.31492
80 2XVM SAH 3.51759
81 4L2I FAD 3.65854
82 2BHZ MAL 3.65854
83 3DUV KDO 3.65854
84 1P77 ATR 3.65854
85 5BW4 SAM 3.65854
86 5E9W SAH 3.65854
87 4KRG SAH 3.65854
88 3FXU TSU 3.65854
89 4G6I RS3 3.80952
90 2POC UD1 3.81471
91 3L9W AMP 4.06504
92 1V5F TPP 4.06504
93 1V5F FAD 4.06504
94 2V3V MGD 4.06504
95 6FDF SAH 4.06504
96 1JG9 GLC 4.06504
97 4BTV RB3 4.06504
98 1GY8 NAD 4.06504
99 1FP1 SAH 4.06504
100 1G8K MGD 4.06504
101 1SQL GUN 4.10959
102 3ITJ CIT 4.14201
103 3LN9 FLC 4.31655
104 4D5G FAD 4.47154
105 4D5G TPP 4.47154
106 3VSE SAH 4.47154
107 1YXM ADE 4.47154
108 5HJM MTA 4.47154
109 2Z3U CRR 4.47154
110 4YAG NAI 4.47154
111 1RJD SAM 4.47154
112 6C8R SAH 4.47154
113 1J71 THR ILE THR SER 4.87805
114 5F8F SFG 4.87805
115 4RW3 SHV 4.87805
116 2YX1 SFG 4.87805
117 1X87 NAD 4.87805
118 5THY SAH 4.87805
119 5X62 SAH 4.87805
120 3LRE ADP 4.87805
121 3MBI ADP 4.87805
122 4R8L ASP 4.87805
123 1O5Q PYR 4.87805
124 1NW5 SAM 4.87805
125 5FPE 3TR 4.87805
126 3VC1 SAH 4.87805
127 4D79 ATP 4.87805
128 1G6H ADP 4.87805
129 3BXO SAM 5.02092
130 1NBU PH2 5.04202
131 1YBH FAD 5.28455
132 1NSA BEN 5.28455
133 5Z20 OXM 5.28455
134 1OC2 NAD 5.28455
135 1UDH URA 5.32787
136 1P19 IMP 5.42986
137 1T9D 1MM 5.613
138 1T9D PYD 5.613
139 1T9D P25 5.613
140 1T9D FAD 5.613
141 2QQC AG2 5.66038
142 6DEN FAD 5.69106
143 6DEN TP9 5.69106
144 6DEN G8A 5.69106
145 1EFV FAD 5.69106
146 5DNK SAH 5.69106
147 1EFV AMP 5.69106
148 1GZ6 NAI 5.69106
149 1PJS NAD 5.69106
150 4N49 SAM 5.69106
151 4ZRN UPG 5.69106
152 2HNK SAH 5.69106
153 4ZRN NAD 5.69106
154 1N13 AG2 5.76923
155 1UAY ADN 5.78512
156 2C3W GLC GLC GLC GLC 5.88235
157 5X7Q GLC GLC GLC GLC 6.09756
158 5X7Q GLC GLC GLC 6.09756
159 2WA2 SAM 6.09756
160 2AOT SAH 6.09756
161 3LGS ADE 6.09756
162 3ZV6 4HB 6.09756
163 3ZV6 NAD 6.09756
164 1JA9 PYQ 6.09756
165 2VO4 4NM 6.39269
166 3JWH SAH 6.45161
167 5YLF BGC 6.50407
168 4NEC SAH 6.50407
169 1R27 MGD 6.50407
170 5WP4 SAH 6.50407
171 2BGM NAJ 6.50407
172 5AO7 AH0 NAG 6.50407
173 5K7U SAM 6.91057
174 4X7Y SAH 6.91057
175 6C0B MLI 7.05128
176 5IL1 SAM 7.07547
177 4KFU ACP 7.07547
178 3B8I OXL 7.31707
179 1U6R IOM 7.31707
180 5E1M SAH 7.46888
181 2EG5 SAH 7.72358
182 1ZQ9 SAM 8.13008
183 2XSB GDL 8.13008
184 4QTU SAM 8.14815
185 4U00 ADP 8.19672
186 3T7S SAM 8.53659
187 2B6N ALA PRO THR 8.53659
188 3GEG NAD 8.53659
189 5W3X ACO 8.75
190 6EGU 43Y 8.94309
191 4DE3 DN8 8.94309
192 1HGX 5GP 9.28962
193 3F81 STT 9.28962
194 2C31 ADP 9.34959
195 2C31 TZD 9.34959
196 2VDV SAM 9.34959
197 3BGD SAH 9.34959
198 1G60 SAM 9.7561
199 4DMG SAM 10.1626
200 5KVA SAM 10.1626
201 3EGI ADP 10.1942
202 1EJ0 SAM 10.5556
203 2JK0 ASP 11.3821
204 4CQM NAP 11.4754
205 2ZFU SAH 11.6279
206 3EYA FAD 11.7886
207 1O97 FAD 12.1212
208 1O97 AMP 12.1212
209 1PVS 7HP 12.1951
210 2PT9 S4M 12.1951
211 2GKS ADP 13.0081
212 4Y9D NAI 13.4146
213 1L3I SAH 14.0625
214 3IP8 B85 14.2276
215 4HZ0 1AV 14.554
216 5WKC FAD 15.4472
217 4YDD MGD 15.4472
218 4YDD MD1 15.4472
219 1HTW ADP 15.8228
220 1KYQ NAD 15.8537
221 5E8J SAH 15.9091
222 1NM5 NAP 16.2562
223 1NM5 NAD 16.2562
224 2Q28 ADP 17.8862
225 1PNO NAP 18.3333
226 2OOR TXP 18.9655
227 1G7C 5GP 21.2766
228 1LSS NAD 22.1429
229 5A3B APR 28.0488
230 3U31 NAD 50
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