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Receptor
PDB id Resolution Class Description Source Keywords
4JQG 1.85 Å EC: 3.4.24.35 CRYSTAL STRUCTURE OF AN INACTIVE MUTANT OF MMP-9 CATALYTIC D COMPLEX WITH A FLUOROGENIC SYNTHETIC PEPTIDIC SUBSTRATE WITF LUORINE ATOM. HOMO SAPIENS HALOGEN-WATER-HYDROGEN BRIDGE ZINCIN-LIKE GELATINASE COLLCATALYTIC DOMAIN HYDROLASE-SUBSTRATE COMPLEX
Ref.: HALOGEN BONDING CONTROLS SELECTIVITY OF FRET SUBSTR PROBES FOR MMP-9. CHEM.BIOL. V. 21 408 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
8MC PRO LEU GLY PFF DNW ALA ARG NH2 P:1;
Q:1;
Valid;
Valid;
none;
none;
submit data
1147.19 n/a Fc1cc...
SR A:304;
B:304;
B:305;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
87.62 Sr [Sr+2...
GOL A:307;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
NA B:309;
B:310;
B:311;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
22.99 Na [Na+]
PGO A:312;
B:306;
Invalid;
Invalid;
none;
none;
submit data
76.094 C3 H8 O2 C[C@@...
ZN B:301;
A:301;
B:302;
A:302;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
CA B:303;
A:305;
A:303;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
EDO A:309;
A:308;
A:306;
B:308;
A:310;
A:311;
B:307;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
AZI Q:600;
P:600;
Invalid;
Invalid;
none;
none;
submit data
42.02 N3 [N-]=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4WZV 1.65 Å EC: 3.4.24.35 CRYSTAL STRUCTURE OF A HYDROXAMATE BASED INHIBITOR EN140 IN WITH THE MMP-9 CATALYTIC DOMAIN HOMO SAPIENS MMP9 INHIBITOR COMPLEX THYROID HORMONE-BINDING PROTEIN HYD
Ref.: N-O-ISOPROPYL SULFONAMIDO-BASED HYDROXAMATES AS MAT METALLOPROTEINASE INHIBITORS: HIT SELECTION AND IN ANTIANGIOGENIC ACTIVITY. J.MED.CHEM. V. 58 7224 2015
Members (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4JQG - 8MC PRO LEU GLY PFF DNW ALA ARG NH2 n/a n/a
2 1GKC - NFH C15 H29 N3 O4 CC(C)C[C@H....
3 5I12 ic50 = 1200 nM H27 C34 H42 N4 O12 S2 CC(C)[C@H]....
4 1GKD - STN BUM n/a n/a
5 2OW0 - 6MR C23 H19 I N2 O4 S c1ccc2c(c1....
6 4WZV ic50 = 0.43 nM E40 C28 H29 N3 O8 S CC(C)ON([C....
7 2OVX - 4MR C24 H22 N6 O4 c1ccc(cc1)....
8 6ESM - B9Z C24 H22 O5 S COc1ccc(cc....
9 4JIJ - 8MC PRO LEU GLY PHI DNW ALA ARG NH2 n/a n/a
10 4XCT ic50 = 6.7 nM N73 C20 H24 N2 O5 S CC(C)[C@H]....
11 2OW1 - 7MR C16 H15 F3 N2 O5 S c1ccc(cc1)....
12 2OVZ - 5MR C30 H29 N4 O5 P c1ccc(cc1)....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4JQG - 8MC PRO LEU GLY PFF DNW ALA ARG NH2 n/a n/a
2 1GKC - NFH C15 H29 N3 O4 CC(C)C[C@H....
3 5I12 ic50 = 1200 nM H27 C34 H42 N4 O12 S2 CC(C)[C@H]....
50% Homology Family (162)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2XS4 - ALA PHE THR n/a n/a
2 4IN9 Ki = 10.7 uM SER TRP PHE PRO n/a n/a
3 2XS3 - ALA PHE THR SER n/a n/a
4 1D8M - BBH C19 H21 N3 O6 S COc1ccc(cc....
5 1BIW ic50 = 104 nM S80 C20 H37 N3 O6 CC(C)C[C@H....
6 4DPE - NGH C13 H20 N2 O5 S CC(C)C[N@]....
7 2D1O Ki = 0.02 uM FA4 C24 H42 N6 O3 [H]/N=C(/N....
8 1HY7 ic50 = 4090 nM MBS C20 H21 N O6 S COCC#CC[C@....
9 1BQO ic50 = 18.4 nM N25 C21 H27 N3 O8 S2 CC1(C[N@](....
10 2USN Ki = 0.31 uM IN8 C19 H18 N4 O3 S2 c1ccc(cc1)....
11 1B3D - S27 C20 H27 N2 O3 P CC(C)C[C@H....
12 1CIZ Ki = 36 nM DPS C28 H29 N3 O4 S c1ccc(cc1)....
13 1D8F ic50 = 18 nM SPI C20 H23 N3 O7 S COc1ccc(cc....
14 1HFS Ki = 2 nM L04 C43 H48 F N3 O5 CC(C)C[C@@....
15 1D7X - SPC C13 H19 N3 O6 S COc1ccc(cc....
16 1G05 ic50 = 3.1 nM BBH C19 H21 N3 O6 S COc1ccc(cc....
17 1B8Y Ki = 14 nM IN7 C19 H22 N2 O4 S c1ccc(cc1)....
18 1CAQ Ki = 19 nM DPS C28 H29 N3 O4 S c1ccc(cc1)....
19 1G4K - HQQ C17 H14 N2 O4 CC1(C(=O)N....
20 4JA1 - NGH C13 H20 N2 O5 S CC(C)C[N@]....
21 1G49 ic50 = 16 nM 111 C16 H25 N3 O7 S2 CCCCOc1ccc....
22 1SLN Ki = 0.23 uM INH C25 H35 N6 O4 C[C@H](C(=....
23 1C3I - TR1 C24 H31 N3 O4 S CC(C)[C@@H....
24 1USN Ki = 0.018 uM IN9 C13 H10 F5 N5 O2 S2 CNC(=O)[C@....
25 4G9L - NGH C13 H20 N2 O5 S CC(C)C[N@]....
26 3AYU - ILE SER TYR GLY ASN ASP ALA LEU MET PRO n/a n/a
27 5I4O - V28 C28 H35 N5 O9 S CC(C)[C@H]....
28 4GQL Ki = 0.26 nM R47 C35 H35 Br Cl N4 O10 P c1cc(cc(c1....
29 1UTT ic50 = 24 uM CP8 C19 H20 N2 O4 S C[N@@]1c2c....
30 5I0L ic50 = 10 nM H27 C34 H42 N4 O12 S2 CC(C)[C@H]....
31 4EFS Ki = 2.5 nM E37 C22 H20 N2 O4 S c1ccc(cc1)....
32 4GR3 Ki = 15.5 nM R45 C29 H32 Br N4 O10 P c1ccc(cc1)....
33 5CZM - R47 C35 H35 Br Cl N4 O10 P c1cc(cc(c1....
34 1Y93 Kd = 8 mM HAE C2 H5 N O2 CC(=O)NO
35 3TSK - QEG C29 H32 N4 O6 S c1ccc(cc1)....
36 2W0D ic50 ~ 2 nM CGS C18 H23 N3 O5 S CC(C)[C@H]....
37 3F16 Kd = 5.91 nM HS3 C10 H12 N2 O6 S COc1ccc(cc....
38 5D3C - 56O C30 H32 Cl N5 O10 c1cc(cc(c1....
39 3NX7 Kd = 7.88 nM NHK C11 H16 N2 O6 S COc1ccc(cc....
40 3N2U - D3X C17 H26 N2 O11 S COc1ccc(cc....
41 2OXW - ILE ALA GLY n/a n/a
42 3EHY Ki = 1.4 uM TBL C10 H13 N O5 S C[C@H](C(=....
43 1UTZ ic50 = 0.014 uM PF3 C25 H20 N2 O3 S c1ccc(cc1)....
44 3LKA Kd = 1.5 mM M4S C7 H9 N O3 S COc1ccc(cc....
45 3F19 Kd = 65.1 nM HS6 C8 H7 F N2 O4 S c1cc(ccc1F....
46 5L7F Ki = 0.9 nM R47 6PJ n/a n/a
47 6ENM - LPW C21 H19 N O5 S COc1ccc(cc....
48 3EHX Ki = 25 nM BDL C18 H21 N O4 S CC(C)C[C@H....
49 6EOX - BKW C21 H18 O5 S COc1ccc(cc....
50 2HU6 Kd = 154 uM 37A C20 H21 N3 O5 c1ccc(cc1)....
51 3N2V - JT5 C16 H18 N2 O5 S c1ccc(cc1)....
52 3F18 Kd = 29.5 nM HS5 C10 H11 F N2 O5 S c1cc(ccc1F....
53 4GR8 Ki = 14.7 nM R4C C25 H28 Br N4 O6 P C[C@@H](C(....
54 3F15 Kd = 7.88 nM HS1 C12 H16 N2 O7 S COc1ccc(cc....
55 6ELA - B9Z C24 H22 O5 S COc1ccc(cc....
56 5N5J - HAE C2 H5 N O2 CC(=O)NO
57 2OXZ - ILE ALA GLY n/a n/a
58 3LIK Ki = 1.92 nM EEG C29 H31 N3 O7 S c1ccc(cc1)....
59 5I43 - 67M C37 H47 N5 O13 S CC(C)[C@H]....
60 3F17 Kd = 2.36 nM HS4 C14 H12 N2 O4 S c1ccc(cc1)....
61 6EKN - B9N C24 H22 O7 S COc1ccc(cc....
62 5D2B - 56O C30 H32 Cl N5 O10 c1cc(cc(c1....
63 2WO8 ic50 = 0.52 uM 077 C17 H18 O3 c1ccc(cc1)....
64 1OS2 - HAE C2 H5 N O2 CC(=O)NO
65 4GR0 Ki = 0.28 nM R4B C31 H31 Br Cl N4 O6 P C[C@@H](C(....
66 2WOA ic50 = 1.15 uM 576 C18 H18 O3 c1ccc-2c(c....
67 3LK8 Kd = 19.7 nM Z79 C9 H12 N2 O5 S COc1ccc(cc....
68 5L79 Ki = 0.9 nM R47 6PJ n/a n/a
69 3F1A Kd = 61.1 nM HS7 C8 H8 N2 O4 S c1ccc(cc1)....
70 5N5K - HAE C2 H5 N O2 CC(=O)NO
71 2WO9 ic50 = 0.062 uM 068 C19 H20 O4 CC(=O)c1cc....
72 3LJG Ki = 18.6 nM EEF C25 H29 N3 O7 c1ccc(cc1)....
73 5I3M - 67F C28 H38 N4 O9 S2 CC(C)[C@@H....
74 1RMZ - NGH C13 H20 N2 O5 S CC(C)C[N@]....
75 3LIL Ki = 8.3 nM EEA C28 H29 Cl N4 O8 c1cc(cc(c1....
76 4I03 - L88 C58 H66 N4 O11 S2 c1ccc(cc1)....
77 1ROS ic50 = 0.0017 uM DEO C28 H25 N O6 CCOc1ccc(c....
78 5CXA - 55L C30 H31 Cl N4 O10 c1cc(cc(c1....
79 5I2Z - V24 C34 H41 N5 O12 S CC(C)[C@H]....
80 1JK3 - BAT C23 H31 N3 O4 S2 CC(C)C[C@H....
81 3LIR Ki = 119 nM EEC C22 H26 N4 O8 c1ccc(cc1)....
82 3TS4 Ki = 1.9 nM EEG C29 H31 N3 O7 S c1ccc(cc1)....
83 3KEJ Ki = 75.9 nM 3EJ C22 H17 F N6 O3 c1cc(cc(c1....
84 4L19 Ki = 0.8 uM 1UA C15 H16 N2 O S Cc1ccc(cc1....
85 5BOT ic50 = 39 uM 4UM C12 H12 N2 O3 CCOC(=O)c1....
86 3KRY Kd < 0.1 nM 3KR C22 H23 F3 N2 O7 S COCCN1CCC(....
87 1XUD ic50 = 8 nM PB4 C22 H20 F2 N4 O2 Cc1cc(ccc1....
88 3I7I ic50 = 620 nM 518 C29 H29 N3 O5 CNC(=O)[C@....
89 3WV1 ic50 = 0.0039 nM WHH C26 H22 F N3 O6 COc1cccc(c....
90 5BPA ic50 = 0.001 uM 4UF C24 H22 N4 O5 CCOC(=O)c1....
91 4JPA ic50 = 3.3 nM AZ6 C21 H23 N7 O5 S C[C@]1(C(=....
92 5B5O ic50 = 1900 nM WMM C12 H11 N5 S2 c1ccc(cc1)....
93 2OW9 ic50 = 30 nM SP6 C21 H16 N2 O4 S c1ccc(cc1)....
94 3ELM ic50 = 0.5 nM 24F C23 H30 N2 O7 S2 CCOc1ccc(c....
95 1CXV - CBP C19 H20 Cl N O6 S c1cc(ccc1O....
96 4A7B - 3W5 C27 H30 N2 O5 S c1cc(ccc1C....
97 3WV2 ic50 = 12 nM WGG C17 H15 N3 O3 COc1cccc(c....
98 4JP4 - AZ4 C19 H23 F4 N7 O5 S c1c(cnc(n1....
99 2OZR ic50 = 0.67 nM GG1 C26 H20 N2 O4 CN1c2ccc(c....
100 5UWK ic50 = 2.3 nM 8OM C25 H27 N3 O5 S2 CC(C)[C@@H....
101 1YOU ic50 = 0.87 nM PFD C20 H19 F N2 O6 CCOCCC1(C(....
102 830C Ki = 0.52 nM RS1 C19 H20 Cl N O6 S c1cc(ccc1O....
103 5BOY ic50 = 2.5 uM 4UE C15 H15 N3 O2 CCOC(=O)c1....
104 3I7G ic50 = 430 nM 732 C20 H23 Cl N2 O3 CNC(=O)[C@....
105 1XUC ic50 = 72 nM PB3 C22 H22 N4 O2 Cc1cccc(c1....
106 1ZTQ ic50 = 1.3 nM 033 C26 H24 N2 O6 S CC(C)[C@@H....
107 456C Ki = 0.17 nM CBP C19 H20 Cl N O6 S c1cc(ccc1O....
108 1XUR ic50 = 6600 nM PB5 C18 H16 N6 O2 c1cc(cnc1)....
109 2D1N Ki = 0.007 uM FA4 C24 H42 N6 O3 [H]/N=C(/N....
110 3KEC ic50 = 130 nM 3KE C24 H21 N5 O4 COc1ccc(cc....
111 5UWM ic50 = 356 nM 8OA C25 H28 N4 O4 S CC(C)[C@H]....
112 3TVC Ki = 18 nM E3P C26 H26 N2 O4 c1ccc(cc1)....
113 3ZXH - E41 C20 H28 N2 O4 S CC(C)CCN([....
114 3KEK Ki = 4.4 nM 3EK C24 H26 F N5 O3 Cc1cc(cc(n....
115 3WV3 ic50 = 24 nM WLL C15 H13 N3 O3 S COc1cccc(c....
116 2YIG ic50 = 79.4 nM 5EL C28 H27 N3 O3 c1cc(ccc1C....
117 5B5P ic50 = 0.2 nM WNN C20 H18 N6 O3 S c1ccc2c(c1....
118 3LJZ Ki = 7.3 nM LA3 C27 H26 N2 O6 c1ccc2c(c1....
119 1MNC - PLH C18 H27 N3 O4 CC(C)C[C@H....
120 3DPE ic50 = 57 nM AXB C24 H21 N5 O6 S2 c1cc2c(cc1....
121 1I76 - BSI C22 H19 N O4 S c1ccc(cc1)....
122 1ZP5 ic50 = 1200 uM 2NI C17 H17 N3 O3 CN(CCOc1cc....
123 1JAP - PRO LEU GLY HOA n/a n/a
124 2OY2 - ILE ALA GLY n/a n/a
125 1I73 - PRO LEU PAT n/a n/a
126 3DNG ic50 = 7.4 nM AXA C22 H21 N5 O5 S c1cc2c(cc1....
127 1JAO Ki = 1.2 uM 0D3 C15 H21 N3 O3 S NULL
128 1ZS0 Ki = 0.7 uM EIN C17 H22 N O6 P S CC(C)[C@@H....
129 1BZS ic50 = 10 nM BSI C22 H19 N O4 S c1ccc(cc1)....
130 1JAQ Ki = 33 uM 01S C12 H22 N4 O5 NULL
131 1KBC - HLE RIN n/a n/a
132 1JAN - PRO LEU GLY HOA n/a n/a
133 5H8X ic50 = 3.1 uM 7FY C18 H15 N O4 S c1ccc(cc1)....
134 1MMB - BAT C23 H31 N3 O4 S2 CC(C)C[C@H....
135 3DPF - AXB C24 H21 N5 O6 S2 c1cc2c(cc1....
136 1JJ9 ic50 = 1700 nM BBT C17 H21 N3 O4 c1ccc(cc1)....
137 1ZVX Ki = 0.6 nM FIN C17 H22 N O6 P S CC(C)[C@H]....
138 3TT4 Ki = 5.3 nM E1S C19 H22 N2 O4 S Cc1ccc(s1)....
139 1MMQ Ki = 0.03 uM RRS C25 H36 N4 O4 CC(C)C[C@H....
140 2Y6C ic50 = 50 uM TQI C18 H14 Cl F3 N2 O4 S c1ccc2c(c1....
141 1MMP Ki = 0.85 uM RSS C25 H35 N3 O4 CC(C)C[C@H....
142 1MMR Ki = 4 uM SRS C25 H39 N5 O2 S CC(C)C[C@H....
143 4JQG - 8MC PRO LEU GLY PFF DNW ALA ARG NH2 n/a n/a
144 1GKC - NFH C15 H29 N3 O4 CC(C)C[C@H....
145 5I12 ic50 = 1200 nM H27 C34 H42 N4 O12 S2 CC(C)[C@H]....
146 1GKD - STN BUM n/a n/a
147 2OW0 - 6MR C23 H19 I N2 O4 S c1ccc2c(c1....
148 4WZV ic50 = 0.43 nM E40 C28 H29 N3 O8 S CC(C)ON([C....
149 2OVX - 4MR C24 H22 N6 O4 c1ccc(cc1)....
150 6ESM - B9Z C24 H22 O5 S COc1ccc(cc....
151 4JIJ - 8MC PRO LEU GLY PHI DNW ALA ARG NH2 n/a n/a
152 4XCT ic50 = 6.7 nM N73 C20 H24 N2 O5 S CC(C)[C@H]....
153 2OW1 - 7MR C16 H15 F3 N2 O5 S c1ccc(cc1)....
154 2OVZ - 5MR C30 H29 N4 O5 P c1ccc(cc1)....
155 1CGL Ki = 135 nM 0ED C33 H47 N5 O7 NULL
156 966C Ki = 23 nM RS2 C19 H21 N O6 S c1ccc(cc1)....
157 2TCL ic50 = 9 nM RO4 C19 H35 N3 O6 CCOC(=O)[C....
158 1HFC - PLH C18 H27 N3 O4 CC(C)C[C@H....
159 5UE4 Kd = 3.3 uM 5XQ C16 H16 N4 O2 S2 Cc1c(sc(n1....
160 1RM8 - BAT C23 H31 N3 O4 S2 CC(C)C[C@H....
161 1Q3A - NGH C13 H20 N2 O5 S CC(C)C[N@]....
162 5H0U - HIS HIS HIS HIS HIS HIS n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 8MC PRO LEU GLY PFF DNW ALA ARG NH2; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 8MC PRO LEU GLY PFF DNW ALA ARG NH2 1 1
2 8MC PRO LEU GLY PHI DNW ALA ARG NH2 0.91954 0.979167
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4WZV; Ligand: E40; Similar sites found with APoc: 120
This union binding pocket(no: 1) in the query (biounit: 4wzv.bio2) has 41 residues
No: Leader PDB Ligand Sequence Similarity
1 5NNT DPV None
2 3KP6 SAL None
3 1LNX URI None
4 1ZEI CRS None
5 3AQT RCO 1.875
6 1R6N 434 2.5
7 3N7S 3N7 2.6087
8 3G5K BB2 3.125
9 4DR9 BB2 3.125
10 2GWH PCI 3.125
11 1LQY BB2 3.125
12 1Q1Y BB2 3.125
13 1SBR VIB 3.125
14 4JE7 BB2 3.125
15 3HW5 AMP 3.125
16 5KD8 TNR 3.125
17 6H8S FSZ 3.125
18 3W6G FLC 3.125
19 1Y79 LYS TRP 3.75
20 3DWB RDF 3.75
21 2YB9 HA0 3.75
22 2BCG GER 3.75
23 4QHP 32Q 3.75
24 3UWB BB2 3.8961
25 1RL4 BRR 4.375
26 1QJI PKF 4.375
27 5L44 K26 4.375
28 4EOX 0S5 4.375
29 4DV8 0LX 4.375
30 4V3I ASP LEU THR ARG PRO 4.375
31 6CGN DA 4.375
32 4TMN 0PK 4.375
33 1RL4 BL5 4.375
34 1WLJ U5P 4.375
35 5A3Y VAL LYS 4.375
36 5F1V 3VN 4.375
37 2VJ8 HA2 5
38 5JF2 SF7 5
39 4GAA BES 5
40 5O7E 9NB 5
41 3G6N MET ALA SER 5
42 5V4R MGT 5
43 2FV5 541 5.625
44 1BKC INN 5.625
45 3Q2H QHF 5.625
46 4WKI 3PW 5.625
47 1S17 GNR 5.625
48 3M6P BB2 5.625
49 1WS1 BB2 5.625
50 4AR8 IP8 GLY PRO ALA 5.625
51 5NBW 8SK 5.625
52 5A0R ACE GLU VAL ASN PRO 5.625
53 4TV1 36M 5.625
54 5EOO CIT 5.625
55 3ZVS MLI 6.25
56 4DD8 BAT 6.25
57 2XQ0 BES 6.25
58 1R55 097 6.25
59 4ZW3 4S9 6.25
60 5LX9 OLB 6.25
61 2HIM ASN 6.25
62 2NV2 GLN 6.25
63 1L0I PSR 6.41026
64 5MTE BB2 6.56934
65 1ATL 0QI 6.875
66 2W14 WR2 6.875
67 1YP1 LYS ASN LEU 6.875
68 4AIG FLX 6.875
69 1G27 BB1 6.875
70 4BXK 1IU 6.875
71 3E3U NVC 6.875
72 2OKL BB2 6.875
73 3AHO 3A2 6.875
74 5N26 CPT 6.875
75 2Z9I GLY ALA THR VAL 6.875
76 5C9J DAO 7.07071
77 5ZI7 GLU 7.5
78 5AB0 2X0 7GA LYS HIS HIS ALA PHE SER PHE LYN 7.5
79 1DKF OLA 7.5
80 2VZR GCU 7.87402
81 3KO0 TFP 7.92079
82 5TDF ADE 8.125
83 4WOE 3S5 8.125
84 2ZL4 ALA ALA ALA ALA 8.125
85 1KAP GLY SER ASN SER 8.75
86 3B9Z CO2 8.75
87 3IHB GLU 8.75
88 2XDQ MGX 8.75
89 3ETG GTP 8.75
90 5LWY OLB 9.34579
91 5UGW GSH 9.375
92 4CA5 3EF 9.375
93 4B52 RDF 10
94 2GBB CIT 10.8974
95 4OGQ 2WD 11.25
96 3C88 ARG ARG GLY CYS NH2 11.25
97 5MZI FYK 11.25
98 4KX8 L2O VAL VAL ASP 11.25
99 5WXU FLC 11.25
100 4OGQ 7PH 11.25
101 1KUK PCA LYS TRP 12.5
102 3O01 DXC 12.5
103 2J83 BAT 13.125
104 5KDX GAL TNR 13.125
105 5Z84 CHD 13.5593
106 5W97 CHD 13.5593
107 5ZCO CHD 13.5593
108 2ZXG S23 13.75
109 5KDS A2G THR ALA PRO GLY GLY NAG SIA 14.375
110 1J78 OLA 17.5
111 2VWA PTY 18.8119
112 6BSL EVV 20
113 6BTP E8J 20
114 6BSM E7D 20
115 6BTQ E8S 20
116 6BTN E8M 20
117 2Y69 CHD 20.6349
118 1ZED PNP 25.625
119 3HBV ALA LYS ALA SER GLN ALA ALA 30.625
120 1NU4 MLA 30.9278
Pocket No.: 2; Query (leader) PDB : 4WZV; Ligand: E40; Similar sites found with APoc: 26
This union binding pocket(no: 2) in the query (biounit: 4wzv.bio1) has 45 residues
No: Leader PDB Ligand Sequence Similarity
1 4V2O CLQ None
2 4GO7 THR 1.875
3 3TUR DGL 3.125
4 5H4S RAM 3.125
5 3BP1 GUN 3.75
6 3R6K FUC GAL GLA 4.375
7 6FBA D48 4.375
8 1TZD ADP 5
9 3ZZH NLG 5
10 1EXF GLY 5.625
11 4MGB XDH 5.625
12 2QQC AG2 5.66038
13 4K90 MLA 6.25
14 1XZ3 ICF 6.25
15 2EW5 Y12 6.875
16 5C1M OLC 8
17 2YIV YIV 8.125
18 1GPJ CIT 8.75
19 3LA3 2FT 8.75
20 2XKO AKG 8.75
21 3TDC 0EU 9.375
22 4O08 PO6 10.625
23 3I7V B4P 11.9403
24 3FAL REA 13.75
25 5AEW BNL 16.25
26 5U97 PIT 21.25
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