3FLO

crystal structure of the carboxyl-terminal domain of yeast dna polymerase alpha in complex with its b subunit

• Total interactions analyzed: 66
• Total true interactions: 17
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 192
  • Norm. En. per Res.: -3.8967
• Hub Node: A(5)

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	-91.2811	-48.9483	-607.941	-748.1704	192	25	12	24651	5	45	51
A-E	0.0	70.2259	-31.3669	38.859	34	5	1	2046	0	18	24
A-K	-17.2664	0.0	-27.6382	-44.9046	23	1	0	1478	0	0	0
A-F	0.0	0.0	-24.7568	-24.7568	26	1	0	1032	0	10	5
A-G	-37.6467	-0.7712	-106.336	-144.7538	78	7	0	4460	0	20	18
I-E	-21.8601	0.0	-25.6981	-47.5582	24	2	0	1508	0	0	0
B-E	0.0	-3.8633	-24.5191	-28.3824	27	2	0	1039	0	10	5
B-F	0.0	0.0	-0.4553	-0.4553	2	0	0	39	0	0	0
C-D	-78.5786	-28.9104	-605.902	-713.3909	188	25	12	24535	3	46	51
C-G	0.0	65.8544	-37.0456	28.8088	40	3	1	2072	0	18	23
C-L	-20.7731	0.0	-29.599	-50.3721	25	3	0	1558	0	0	0
C-H	0.0	0.0	-26.5537	-26.5537	30	0	0	1086	0	10	5
J-G	-17.7991	0.0	-28.2789	-46.078	24	2	0	1476	0	0	0
D-G	0.0	-1.7384	-22.9877	-24.7261	27	1	0	869	0	10	5
D-H	0.0	0.0	-0.4297	-0.4297	2	0	0	38	0	0	0
E-F	-96.1523	-39.0714	-583.831	-719.0547	191	29	9	24304	3	44	52
G-H	-92.9168	-33.353	-600.268	-726.5378	190	24	11	24366	3	45	51

Interface residues

• A-B: ALA1336B, ALA1343B, ALA257A, ALA444A, ALA491A, ALA496A, ALA497A, ALA610A, ARG1293B, ARG1335B, ARG1358B, ARG1366B, ARG1377B, ARG248A, ARG248A5, ARG251A, ARG299A, ARG322A, ARG328A, ARG329A, ARG579A, ASN1369B, ASN1450B, ASN253A, ASN450A, ASN494A, ASP1291B, ASP1370B, ASP1382B, ASP1451B, ASP259A, ASP262A, ASP263A, ASP303A, ASP437A, ASP462A, ASP490A, ASP611A, ASP613A, CB9.51895-10.17497, CYS1287B, CYS1290B, CYS1353B, CYS1367B, CYS1452B, GLN1325B, GLN1329B, GLN1347B, GLN1359B, GLN1446B, GLN252A, GLN255A, GLN264A, GLN457A, GLN500A, GLU1331B, GLU1436B, GLU256A, GLU266A, GLU319A, GLU463A, GLY1344B, GLY1354B, GLY1364B, GLY1441B, GLY298A, GLY324A, GLY325A, GLY327A, GLY345A, GLY446A, GLY576A, GLY609A, HIS1332B, HIS1337B, HIS440A, HIS495A, HIS606A, ILE1330B, ILE1334B, ILE1338B, ILE1355B, ILE265A, ILE300A, ILE347A, ILE436A, ILE438A, ILE443A, ILE492A, ILE573A, ILE578A, ILE607A, LEU1285B, LEU1324B, LEU1326B, LEU1340B, LEU1346B, LEU1368B, LEU1385B, LEU1389B, LEU1437B, LEU1449B, LEU254A, LEU261A, LEU311A, LEU344A, LEU442A, LEU448A, LEU461A, LEU464A, LEU468A, LEU503A, LEU612A, LYS1292B, LYS1365B, LYS1379B, LYS1383B, LYS1447B, LYS447A, LYS459A, LYS467A, LYS489A, MET1376B, MET250A, MET323A, PHE1321B, PHE1363B, PHE408A, PHE451A, PHE454A, PHE465A, PHE574A, PRO1288B, PRO1323B, PRO302A, PRO305A, PRO434A, PRO441A, PRO449A, PRO458A, PRO486A, PRO499A, PRO575A, SER1286B, SER1289B, SER1328B, SER1333B, SER1339B, SER1361B, SER1381B, SER1443B, SER258A, SER304A, SER321A, SER445A, SER487A, SER493A, SER577A, SER608A, SER615A, THR1322B, THR1327B, THR1357B, THR1440B, THR249A, THR287A, THR306A, THR320A, THR439A, THR460A, THR488A, THR580A, TRP1345B, TYR1341B, TYR1342B, TYR1378B, TYR1380B, TYR1386B, TYR1448B, TYR307A, TYR498A, TYR571A, TYR616A, VAL1356B, VAL1360B, VAL1362B, VAL1375B, VAL1444B, VAL260A, VAL301A, VAL326A, VAL614A
• A-E: ARG251A, ARG322A, ARG322E, ARG328A, ARG328E, ASN253A, ASN253E, ASP259A, ASP259E, ASP262A, ASP262E, ASP263A, ASP263E, GLN255A, GLN255E, GLU256A, GLU256E, GLY324A, GLY324E, GLY325A, GLY325E, GLY327A, GLY327E, MET323A, MET323E, SER258A, SER258E, SER321A, SER321E, TYR616E, VAL260A, VAL260E, VAL326A, VAL326E
• A-K: ASN387A, ASN527A, GLN481A, GLN525A, HIS427A, ILE526A, ILE529A, LEU393A, LYS516A, MET518A, PHE384A, PHE524A, PHE531A, SER522A, SER523A, THR482A, TYR530A, UNK1000K, UNK1001K, UNK1002K, VAL428A, VAL483A, VAL623A
• A-F: ARG1366F, ARG1377F, ARG322A, ASN281A, ASP1349F, ASP262A, ASP263A, CYS1367F, GLN273A, GLU266A, GLY1371F, GLY1374F, GLY324A, GLY327A, LYS1365F, LYS270A, MET1376F, MET323A, PHE1363F, PRO280A, SER279A, SER321A, THR1373F, VAL1362F, VAL1375F, VAL326A
• A-G: ALA355G, ARG331G, ARG554A, ARG554G, ARG559A, ARG642A, ASN274A, ASN312G, ASN338A, ASN338G, ASN356G, ASN363G, ASN646A, ASP303G, ASP308G, ASP333G, ASP358G, ASP558A, GLN289G, GLN336A, GLN336G, GLN566A, GLN645A, GLU293G, GLU314G, GLU339A, GLU339G, GLU562A, GLY357G, GLY548A, GLY548G, GLY549A, GLY549G, HIS275A, ILE365A, ILE546G, LEU278A, LEU311G, LEU316G, LEU332G, LEU334G, LEU340A, LEU366A, LEU368A, LEU565A, LYS277A, LYS351G, LYS353G, LYS547A, LYS547G, LYS696A, PHE310G, PRO313G, PRO367A, PRO369A, SER315G, SER335G, SER364G, SER552A, SER552G, SER553A, SER553G, SER561A, THR361G, THR550A, THR550G, THR551A, THR551G, TRP695A, TYR276A, TYR359G, TYR370A, TYR555A, VAL337A, VAL337G, VAL643A, VAL644A, VAL647A
• I-E: ASN387E, ASN527E, GLN481E, GLN525E, GLU528E, HIS427E, ILE430E, ILE526E, ILE529E, LEU429E, LYS516E, MET518E, PHE384E, PHE524E, PHE531E, SER523E, TYR530E, UNK1000I, UNK1001I, UNK1002I, VAL395E, VAL428E, VAL483E, VAL623E
• B-E: ARG1366B, ARG1377B, ARG322E, ASN281E, ASP1349B, ASP262E, ASP263E, CYS1367B, GLN255E, GLN273E, GLU266E, GLY1364B, GLY1371B, GLY1374B, GLY324E, GLY327E, LYS1365B, LYS270E, MET323E, PHE1363B, PRO280E, SER279E, SER321E, THR1373B, VAL1362B, VAL1375B, VAL326E
• B-F: PHE1363B, PHE1363F
• C-D: ALA1336D, ALA1343D, ALA257C, ALA444C, ALA491C, ALA496C, ALA497C, ALA610C, ARG1293D, ARG1335D, ARG1358D, ARG1366D, ARG1377D, ARG248C, ARG251C, ARG299C, ARG322C, ARG328C, ARG329C, ARG579C, ASN1369D, ASN1450D, ASN253C, ASN450C, ASN494C, ASP1291D, ASP1370D, ASP1382D, ASP1451D, ASP259C, ASP262C, ASP263C, ASP303C, ASP437C, ASP462C, ASP490C, ASP611C, ASP613C, CYS1287D, CYS1290D, CYS1367D, CYS1452D, GLN1325D, GLN1329D, GLN1347D, GLN1359D, GLN1446D, GLN252C, GLN255C, GLN264C, GLN457C, GLN500C, GLU1331D, GLU1436D, GLU1439D, GLU256C, GLU266C, GLU319C, GLU463C, GLY1344D, GLY1354D, GLY1364D, GLY1441D, GLY298C, GLY324C, GLY325C, GLY327C, GLY345C, GLY446C, GLY576C, GLY609C, HIS1332D, HIS1337D, HIS440C, HIS495C, HIS606C, ILE1330D, ILE1334D, ILE1338D, ILE1355D, ILE265C, ILE300C, ILE347C, ILE436C, ILE438C, ILE443C, ILE492C, ILE573C, ILE578C, ILE607C, LEU1285D, LEU1324D, LEU1326D, LEU1340D, LEU1346D, LEU1368D, LEU1385D, LEU1389D, LEU1437D, LEU1449D, LEU254C, LEU261C, LEU311C, LEU344C, LEU442C, LEU448C, LEU461C, LEU464C, LEU468C, LEU612C, LYS1365D, LYS1379D, LYS1383D, LYS1447D, LYS447C, LYS459C, LYS467C, LYS489C, MET1376D, MET250C, MET323C, PHE1321D, PHE1363D, PHE408C, PHE451C, PHE454C, PHE465C, PHE574C, PRO1288D, PRO1323D, PRO302C, PRO305C, PRO434C, PRO441C, PRO449C, PRO458C, PRO486C, PRO499C, PRO575C, SER1286D, SER1289D, SER1328D, SER1333D, SER1339D, SER1361D, SER1381D, SER1443D, SER258C, SER304C, SER321C, SER445C, SER487C, SER493C, SER577C, SER608C, SER615C, THR1322D, THR1327D, THR1357D, THR1440D, THR249C, THR287C, THR306C, THR320C, THR439C, THR460C, THR488C, THR580C, TRP1345D, TYR1341D, TYR1342D, TYR1378D, TYR1380D, TYR1386D, TYR1448D, TYR307C, TYR498C, TYR571C, TYR616C, VAL1356D, VAL1360D, VAL1362D, VAL1375D, VAL1444D, VAL260C, VAL301C, VAL326C, VAL614C
• C-G: ARG251C, ARG251G, ARG322C, ARG322G, ARG328C, ARG328G, ASN253C, ASN253G, ASP259C, ASP259G, ASP262C, ASP262G, ASP263C, ASP263G, ASP285C, ASP285G, GLN255C, GLN255G, GLU256C, GLU256G, GLU266C, GLU266G, GLY324C, GLY324G, GLY325C, GLY325G, GLY327C, GLY327G, MET323C, MET323G, SER258C, SER258G, SER321C, SER321G, TYR616C, TYR616G, VAL260C, VAL260G, VAL326C, VAL326G
• C-L: ASN387C, ASN527C, GLN481C, GLN525C, GLU528C, HIS427C, ILE430C, ILE526C, ILE529C, LEU393C, LYS516C, MET518C, PHE384C, PHE524C, PHE531C, SER522C, SER523C, THR482C, TYR530C, UNK1000L, UNK1001L, UNK1002L, VAL428C, VAL483C, VAL623C
• C-H: ARG1366H, ARG1377H, ARG322C, ASN281C, ASP1349H, ASP262C, ASP263C, CYS1367H, CYS1372H, GLN273C, GLU266C, GLY1364H, GLY1371H, GLY1374H, GLY324C, GLY325C, GLY327C, LYS1365H, LYS270C, MET323C, PHE1363H, PRO280C, SER1361H, SER267C, SER279C, SER321C, THR1373H, VAL1362H, VAL1375H, VAL326C
• J-G: ASN387G, ASN527G, GLN481G, GLN525G, GLU528G, HIS427G, ILE430G, ILE526G, ILE529G, LEU393G, LYS516G, MET518G, PHE384G, PHE524G, PHE531G, SER522G, SER523G, TYR530G, UNK1000J, UNK1001J, UNK1002J, VAL428G, VAL483G, VAL623G
• D-G: ARG1366D, ARG1377D, ARG322G, ASN281G, ASP1349D, ASP262G, ASP263G, CYS1367D, GLN273G, GLU266G, GLY1371D, GLY324G, GLY325G, GLY327G, LYS1365D, LYS270G, MET323G, PHE1363D, PRO280G, SER1361D, SER267G, SER279G, SER321G, THR1373D, VAL1362D, VAL1375D, VAL326G
• D-H: PHE1363D, PHE1363H
• E-F: ALA1336F, ALA1343F, ALA257E, ALA444E, ALA491E, ALA496E, ALA497E, ALA501E, ALA610E, ARG1293F, ARG1335F, ARG1358F, ARG1366F, ARG1377F, ARG248E, ARG251E, ARG299E, ARG322E, ARG328E, ARG329E, ARG331E, ARG579E, ASN1369F, ASN1450F, ASN253E, ASN450E, ASN494E, ASP1291F, ASP1370F, ASP1382F, ASP1451F, ASP259E, ASP262E, ASP263E, ASP303E, ASP437E, ASP462E, ASP490E, ASP611E, ASP613E, CYS1287F, CYS1290F, CYS1367F, CYS1452F, GLN1325F, GLN1329F, GLN1347F, GLN1359F, GLN1446F, GLN252E, GLN255E, GLN264E, GLN457E, GLN500E, GLU1331F, GLU1436F, GLU1439F, GLU256E, GLU266E, GLU319E, GLU463E, GLY1344F, GLY1364F, GLY1441F, GLY298E, GLY324E, GLY325E, GLY327E, GLY345E, GLY446E, GLY576E, GLY609E, HIS1332F, HIS1337F, HIS440E, HIS495E, HIS606E, ILE1330F, ILE1334F, ILE1338F, ILE1355F, ILE265E, ILE300E, ILE347E, ILE436E, ILE438E, ILE443E, ILE492E, ILE573E, ILE578E, ILE607E, LEU1285F, LEU1324F, LEU1326F, LEU1340F, LEU1346F, LEU1368F, LEU1385F, LEU1389F, LEU1437F, LEU1449F, LEU254E, LEU261E, LEU311E, LEU344E, LEU442E, LEU448E, LEU461E, LEU464E, LEU468E, LEU503E, LEU612E, LYS1365F, LYS1379F, LYS1383F, LYS1447F, LYS447E, LYS459E, LYS467E, LYS489E, MET1376F, MET250E, MET323E, PHE1321F, PHE1363F, PHE408E, PHE451E, PHE454E, PHE465E, PHE574E, PRO1288F, PRO1323F, PRO302E, PRO305E, PRO434E, PRO441E, PRO449E, PRO458E, PRO486E, PRO499E, PRO575E, SER1286F, SER1289F, SER1328F, SER1333F, SER1339F, SER1361F, SER1381F, SER1443F, SER258E, SER304E, SER321E, SER445E, SER487E, SER493E, SER577E, SER608E, SER615E, THR1322F, THR1327F, THR1357F, THR1440F, THR249E, THR287E, THR306E, THR320E, THR439E, THR460E, THR488E, THR580E, TRP1345F, TYR1341F, TYR1342F, TYR1378F, TYR1380F, TYR1386F, TYR1448F, TYR307E, TYR498E, TYR571E, TYR616E, VAL1356F, VAL1360F, VAL1362F, VAL1375F, VAL1444F, VAL1445F, VAL260E, VAL301E, VAL326E, VAL614E
• G-H: ALA1336H, ALA1343H, ALA257G, ALA444G, ALA491G, ALA496G, ALA497G, ALA501G, ALA610G, ARG1293H, ARG1335H, ARG1358H, ARG1366H, ARG1377H, ARG248G, ARG251G, ARG299G, ARG322G, ARG328G, ARG329G, ARG331G, ARG579G, ASN1369H, ASN1450H, ASN253G, ASN450G, ASN494G, ASP1291H, ASP1370H, ASP1382H, ASP1451H, ASP259G, ASP262G, ASP263G, ASP303G, ASP437G, ASP462G, ASP490G, ASP611G, ASP613G, CYS1287H, CYS1290H, CYS1367H, CYS1452H, GLN1325H, GLN1329H, GLN1347H, GLN1359H, GLN1446H, GLN252G, GLN255G, GLN264G, GLN457G, GLN500G, GLU1331H, GLU1436H, GLU1439H, GLU256G, GLU266G, GLU319G, GLU463G, GLY1344H, GLY1354H, GLY1364H, GLY1441H, GLY298G, GLY324G, GLY325G, GLY327G, GLY345G, GLY446G, GLY576G, GLY609G, HIS1332H, HIS1337H, HIS440G, HIS495G, HIS606G, ILE1330H, ILE1334H, ILE1338H, ILE1355H, ILE265G, ILE300G, ILE347G, ILE436G, ILE438G, ILE443G, ILE492G, ILE573G, ILE578G, ILE607G, LEU1285H, LEU1324H, LEU1326H, LEU1340H, LEU1346H, LEU1368H, LEU1385H, LEU1389H, LEU1437H, LEU1449H, LEU254G, LEU261G, LEU311G, LEU344G, LEU442G, LEU448G, LEU461G, LEU464G, LEU468G, LEU612G, LYS1365H, LYS1379H, LYS1383H, LYS1447H, LYS447G, LYS459G, LYS467G, LYS489G, MET1376H, MET250G, MET323G, PHE1321H, PHE1363H, PHE408G, PHE451G, PHE454G, PHE465G, PHE574G, PRO1288H, PRO1323H, PRO302G, PRO305G, PRO434G, PRO441G, PRO449G, PRO458G, PRO486G, PRO499G, PRO575G, SER1286H, SER1289H, SER1328H, SER1333H, SER1339H, SER1361H, SER1381H, SER1443H, SER258G, SER304G, SER321G, SER445G, SER487G, SER493G, SER577G, SER608G, SER615G, THR1322H, THR1327H, THR1357H, THR1440H, THR249G, THR287G, THR306G, THR320G, THR439G, THR460G, THR488G, THR580G, TRP1345H, TYR1341H, TYR1342H, TYR1378H, TYR1380H, TYR1386H, TYR1448H, TYR307G, TYR498G, TYR571G, TYR616G, VAL1356H, VAL1360H, VAL1362H, VAL1375H, VAL1444H, VAL260G, VAL301G, VAL326G, VAL614G