2UV8

crystal structure of yeast fatty acid synthase with stalled acyl carrier protein at 3.1 angstrom resolution

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: A-G
  • Int. Res.: 222
  • Norm. En. per Res.: -3.4623
• Hub Node: A(4)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-27.123	-77.1695	-106.945	-211.2374	134	8	0	6364	6	70	45
A-C	-40.4843	-80.6306	-109.475	-230.5899	136	13	0	6636	6	73	46
A-G	-249.3808	-94.6796	-424.574	-768.6344	222	39	11	18776	8	79	61
A-I	0.0	-15.3655			6
B-C	-52.7659	-81.864	-109.126	-243.7559	137	12	0	6581	6	71	46
B-G	0.0	-14.9934	-74.7215	-89.7149	40	1	2	3541	1	13	12
B-H	-247.7064	-103.1554			73
C-H	0.0	-15.299			6
C-I	-227.6117	-103.7717			72
G-H	-23.1033	-1.1522			11
G-I	-23.4085	-0.0484			12
H-I	-31.3787	5.4048			13

Interface residues

• A-B: ALA1136A, ALA274B, ALA339A, ALA339B, ALA347B, ARG1264A, ARG231B, ARG247B, ARG340B, ARG348B, ARG359B, ASN1272A, ASN356B, ASP1130A, ASP1150A, ASP1153A, ASP1202A, ASP1203A, ASP1263A, ASP1267A, ASP1273A, ASP334B, ASP353B, ASP355B, GLN1143A, GLN1207A, GLN1271A, GLN1276A, GLN224B, GLN341B, GLN342A, GLN342B, GLN344B, GLU1128A, GLU1129A, GLU1132A, GLU1135A, GLU1139A, GLU1156A, GLU1159A, GLU1162A, GLU1268A, GLU1277A, GLU185B, GLU272B, GLU329A, GLU358B, GLY1149A, GLY1161A, GLY177B, GLY240B, GLY357B, HIS157B, HIS335A, HIS335B, ILE1154A, ILE1157A, ILE1204A, ILE1205A, ILE1274A, ILE233B, ILE243B, ILE331A, ILE331B, LEU1131A, LEU1168A, LEU1290A, LEU159B, LEU175B, LEU228B, LEU229B, LEU232B, LEU328A, LEU328B, LEU338A, LEU338B, LEU346A, LEU354B, LEU362B, LYS1138A, LYS1145A, LYS1151A, LYS1166A, LYS1169A, LYS1196A, LYS1266A, LYS158B, LYS160B, LYS161B, LYS179B, LYS192B, LYS223B, LYS236B, LYS248B, LYS333A, LYS336A, LYS336B, LYS360B, LYS365B, MET1289A, PHE1134A, PHE1144A, PHE1155A, PHE241B, PHE361B, PRO1133A, PRO1158A, PRO1269A, PRO273B, SER1137A, SER1201A, SER1206A, SER226B, SER227B, SER230B, SER234B, SER235B, THR1140A, THR1160A, THR181B, THR242B, THR244B, THR332A, THR332B, TRP1286A, TYR1163A, VAL1152A, VAL1208A, VAL1270A, VAL176B, VAL182B, VAL245B, VAL337B, VAL345B
• A-C: ALA1136C, ALA274A, ALA339A, ALA339C, ALA347A, ARG1264C, ARG231A, ARG247A, ARG340A, ARG348A, ARG359A, ASN1272C, ASN356A, ASP1130C, ASP1150C, ASP1153C, ASP1202C, ASP1203C, ASP1263C, ASP1267C, ASP1273C, ASP334A, ASP353A, ASP355A, GLN1143C, GLN1207C, GLN1271C, GLN1276C, GLN224A, GLN341A, GLN342A, GLN342C, GLN344A, GLU1128C, GLU1129C, GLU1132C, GLU1135C, GLU1139C, GLU1156C, GLU1159C, GLU1162C, GLU1268C, GLU1277C, GLU185A, GLU272A, GLU329C, GLU330C, GLU358A, GLY1149C, GLY1161C, GLY177A, GLY240A, GLY357A, HIS157A, HIS335A, HIS335C, ILE1154C, ILE1157C, ILE1204C, ILE1205C, ILE1274C, ILE233A, ILE243A, ILE331A, ILE331C, LEU1131C, LEU1168C, LEU1290C, LEU159A, LEU175A, LEU228A, LEU229A, LEU232A, LEU328A, LEU328C, LEU338A, LEU338C, LEU346C, LEU354A, LEU362A, LYS1138C, LYS1145C, LYS1151C, LYS1166C, LYS1169C, LYS1196C, LYS1266C, LYS158A, LYS160A, LYS161A, LYS179A, LYS192A, LYS223A, LYS236A, LYS248A, LYS333C, LYS336A, LYS336C, LYS360A, LYS365A, MET1289C, PHE1134C, PHE1144C, PHE1155C, PHE241A, PHE361A, PRO1133C, PRO1158C, PRO1269C, PRO273A, SER1137C, SER1164C, SER1201C, SER1206C, SER226A, SER227A, SER230A, SER234A, SER235A, THR1140C, THR1160C, THR181A, THR242A, THR244A, THR332A, THR332C, TRP1286C, TYR1163C, VAL1152C, VAL1208C, VAL1270C, VAL176A, VAL182A, VAL245A, VAL337A, VAL345A
• A-G: ALA1442G, ALA1508G, ALA1510G, ALA1679A, ALA1684A, ALA886G, ALA915G, ALA956A, ALA962A, ALA973A, ALA976A, ALA978A, ALA986A, ALA989G, ALA990G, ALA997G, ARG1024G, ARG1445G, ARG1522G, ARG1680A, ARG27A, ARG43A, ARG912G, ARG952G, ARG953G, ARG954A, ARG957G, ARG985A, ARG991G, ASN1009G, ASN1064A, ASN1066A, ASN1514G, ASN1523G, ASN1532G, ASN1535G, ASN1690A, ASN969A, ASN971A, ASN987A, ASN996G, ASP1001G, ASP1085A, ASP1086A, ASP1440G, ASP1518G, ASP1599G, ASP1791G, ASP33A, ASP38A, ASP913G, ASP93A, ASP999G, GLN1008G, GLN1659G, GLN7A, GLN968G, GLN979A, GLN983A, GLN989A, GLN993G, GLN998G, GLU1048A, GLU1448G, GLU1497G, GLU1507G, GLU1534G, GLU1681A, GLU16A, GLU1785G, GLU1894G, GLU1999G, GLU2049G, GLU30A, GLU42A, GLU46A, GLU4A, GLU885G, GLU8A, GLU921G, GLU949A, GLU952A, GLU955G, GLU956G, GLU960A, GLU964A, GLU981A, GLU992G, GLY1065A, GLY1074A, GLY1509G, GLY1513G, GLY1691A, GLY970A, HIS1002G, HIS1063A, HIS11A, HIS1512G, HIS1689A, HIS1977G, HIS75A, HIS965A, ILE1000G, ILE1441G, ILE1479G, ILE1537G, ILE1693A, ILE29A, ILE47A, ILE88A, ILE959A, ILE967G, ILE982A, ILE988A, LEU1004G, LEU1047A, LEU1444G, LEU1533G, LEU2014G, LEU914G, LEU951G, LEU963A, LEU964G, LEU966G, LEU990A, LEU995G, LYS1087A, LYS1439G, LYS1447G, LYS1682A, LYS1686A, LYS1726A, LYS1727A, LYS1989G, LYS1993G, LYS1998G, LYS2017G, LYS2047G, LYS2A, LYS64A, LYS86A, LYS945A, LYS955A, LYS960G, LYS962G, LYS966A, MET1006G, MET1692A, MET917G, PHE1003G, PHE1480G, PHE1519G, PHE1687A, PHE1688A, PHE22A, PHE958G, PHE994G, PRO1010G, PRO1071A, PRO1515G, PRO1536G, PRO1538G, PRO92A, PRO94A, PRO984A, SER1005G, SER1046A, SER1438G, SER1446G, SER1511G, SER1678A, SER1683A, SER1728A, SER958A, SER961G, SER965G, SER969G, SER972A, THR1073A, THR1437G, THR1663G, THR916G, THR918G, THR91A, THR959G, THR961A, THR963G, TRP1075A, TRP1449G, TRP28A, TYR1062A, TYR1072A, TYR1506G, TYR1685A, TYR1694A, TYR1891G, TYR89A, TYR90A, TYR919G, TYR970G, TYR977A, TYR987G, VAL1051A, VAL1084A, VAL1443G, VAL1483G, VAL1516G, VAL1517G, VAL1531G, VAL1661G, VAL1665G, VAL1889G, VAL26A, VAL45A, VAL948A, VAL953A, VAL954G, VAL957A, VAL967A, VAL968A, VAL980A, VAL983G
• A-I: ASP326I, ASP69A, GLU66A, HIS359I, HIS75A, LYS395I
• B-C: ALA1136B, ALA274C, ALA339B, ALA339C, ALA347C, ARG1264B, ARG231C, ARG247C, ARG340C, ARG348C, ARG359C, ASN1272B, ASN356C, ASP1130B, ASP1150B, ASP1153B, ASP1202B, ASP1203B, ASP1263B, ASP1267B, ASP1273B, ASP334B, ASP334C, ASP353C, ASP355C, GLN1143B, GLN1207B, GLN1271B, GLN1276B, GLN224C, GLN341C, GLN342B, GLN342C, GLN344C, GLU1128B, GLU1129B, GLU1132B, GLU1135B, GLU1139B, GLU1156B, GLU1159B, GLU1162B, GLU1268B, GLU1277B, GLU185C, GLU272C, GLU329B, GLU330B, GLU358C, GLY1149B, GLY1161B, GLY177C, GLY240C, GLY357C, HIS157C, HIS335B, HIS335C, ILE1154B, ILE1157B, ILE1204B, ILE1205B, ILE1274B, ILE233C, ILE243C, ILE331B, ILE331C, LEU1131B, LEU1168B, LEU1290B, LEU159C, LEU175C, LEU228C, LEU229C, LEU232C, LEU328B, LEU328C, LEU338B, LEU338C, LEU346B, LEU354C, LEU362C, LYS1138B, LYS1145B, LYS1151B, LYS1166B, LYS1169B, LYS1196B, LYS1266B, LYS158C, LYS160C, LYS161C, LYS179C, LYS192C, LYS223C, LYS236C, LYS248C, LYS333B, LYS336B, LYS336C, LYS360C, LYS363C, LYS365C, MET1289B, PHE1134B, PHE1155B, PHE241C, PHE361C, PRO1133B, PRO1158B, PRO1269B, PRO273C, SER1137B, SER1164B, SER1201B, SER1206B, SER226C, SER227C, SER230C, SER234C, SER235C, THR1140B, THR1160B, THR181C, THR242C, THR244C, THR332B, THR332C, TRP1286B, TYR1163B, VAL1152B, VAL1208B, VAL1270B, VAL176C, VAL182C, VAL245C, VAL337C, VAL345C
• B-G: ALA70B, ALA71B, ARG394G, ASN357G, ASN390G, ASP326G, ASP69B, GLN384G, GLU66B, GLY388G, HIS359G, HIS75B, ILE323G, LEU360G, LEU386G, LEU389G, LEU391G, LEU393G, LEU61B, LEU72B, LEU74B, LYS355G, LYS364G, LYS37B, LYS395G, LYS62B, LYS64B, PRO320G, PRO361G, SER322G, SER358G, SER385G, SER67B, SER73B, THR356G, THR392G, TYR352G, TYR387G, TYR65B, TYR68B
• B-H: ALA986B, ARG1522H, ARG27B, ARG43B, ARG953H, ARG957H, ARG985B, ASP1001H, ASP1086B, ASP1518H, ASP1599H, ASP33B, ASP38B, ASP913H, ASP999H, GLN968H, GLN989B, GLN993H, GLU1681B, GLU16B, GLU1785H, GLU1894H, GLU1999H, GLU2049H, GLU30B, GLU42B, GLU46B, GLU4B, GLU8B, GLU949B, GLU952B, GLU956H, GLU960B, GLU964B, GLU981B, GLU992H, HIS1063B, HIS11B, HIS1689B, HIS1977H, HIS75B, ILE29B, ILE47B, ILE982B, LEU2014H, LYS1087B, LYS1439H, LYS1447H, LYS1682B, LYS1686B, LYS1989H, LYS1993H, LYS1998H, LYS2017H, LYS2047H, LYS2B, LYS64B, LYS955B, LYS962H, PHE22B, SER965H, THR1663H, THR1667H, THR963H, TRP28B, TYR1062B, TYR1891H, VAL1661H, VAL1665H, VAL1889H, VAL26B, VAL45B, VAL980B
• C-H: ASP326H, ASP69C, GLU66C, HIS359H, HIS75C, LYS395H
• C-I: ALA986C, ARG1522I, ARG27C, ARG43C, ARG953I, ARG957I, ARG985C, ASP1001I, ASP1086C, ASP1518I, ASP1599I, ASP33C, ASP38C, ASP913I, ASP999I, GLN968I, GLN989C, GLN993I, GLU1681C, GLU16C, GLU1785I, GLU1894I, GLU1999I, GLU2049I, GLU30C, GLU42C, GLU46C, GLU4C, GLU8C, GLU949C, GLU952C, GLU956I, GLU960C, GLU964C, GLU981C, GLU992I, HIS1063C, HIS11C, HIS1689C, HIS1807I, HIS1977I, HIS75C, ILE29C, ILE47C, ILE982C, LEU2014I, LYS1087C, LYS1439I, LYS1447I, LYS1682C, LYS1686C, LYS1989I, LYS1993I, LYS1998I, LYS2017I, LYS2047I, LYS2C, LYS64C, LYS955C, LYS962I, PHE22C, SER965I, THR1663I, THR963I, TRP28C, TYR1891I, VAL1661I, VAL1665I, VAL1889I, VAL26C, VAL45C, VAL980C
• G-H: ARG1314H, ARG1317H, ASN1307H, ASP1299H, ASP1316H, GLY363G, HIS1302H, LYS207G, LYS364G, PRO315G, SER318G
• G-I: ARG1314G, ARG1317G, ASN1307G, ASP1299G, ASP1316G, ASP1599G, HIS1302G, LYS207I, LYS364I, PRO315I, SER318I, SER322I
• H-I: ARG1314I, ARG1317I, ASN1307I, ASP1299I, ASP1316I, ASP1599I, GLU325H, HIS1302I, LYS207H, LYS364H, PRO315H, SER318H, SER322H