2Q41

ensemble refinement of the protein crystal structure of spermidine synthase from arabidopsis thaliana gene at1g23820

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 155
  • Norm. En. per Res.: -4.9341
• Hub Node: A(3)

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	0.0	0.0	-17.7172	-17.7172	22	0	0	978	1	4	3
A-C	-27.1225	11.6878	-174.348	-189.7826	100	16	8	8501	0	12	16
A-D	-153.2175	-42.6132	-568.949	-764.7798	155	43	7	19998	1	31	25
B-C	-116.1438	-42.3162	-485.75	-644.21	155	34	7	18426	0	32	25
C-D	0.0	0.0	-16.0071	-16.0071	26	2	0	963	1	4	3

Interface residues

• A-B: ASP158A, ASP74A, GLN162A, GLN70A, GLY46B, GLY71A, ILE44B, LEU68A, LYS154A, LYS63B, LYS72A, PHE163A, PHE69A, PRO45B, SER160A, SER73A, THR42B, TRP47B, VAL156A, VAL157A, VAL159A, VAL43B
• A-C: ALA59A, ALA59C, ASP158A, ASP158C, ASP74A, ASP74C, ASP77A, ASP77C, ASP93A, ASP93C, GLN162A, GLN162C, GLN70A, GLN70C, GLN82C, GLU50A, GLU50C, GLU65A, GLU65C, GLY46A, GLY46C, GLY57A, GLY57C, GLY71A, GLY71C, GLY94A, GLY94C, ILE206A, ILE206C, ILE44A, ILE44C, ILE79A, ILE79C, LEU62A, LEU62C, LEU68A, LEU68C, LEU92A, LEU92C, LYS154A, LYS154C, LYS161A, LYS161C, LYS63A, LYS63C, LYS66A, LYS66C, LYS72A, LYS72C, LYS88A, LYS88C, PHE163A, PHE163C, PHE48A, PHE48C, PHE69A, PHE69C, PHE81A, PHE81C, PRO45A, PRO45C, PRO53A, PRO53C, PRO56A, PRO56C, SER41A, SER41C, SER49A, SER49C, SER52A, SER52C, SER61A, SER61C, SER73A, SER73C, THR42A, THR42C, TRP47A, TRP47C, TRP55A, TRP55C, TYR75A, TYR75C, VAL157A, VAL159A, VAL159C, VAL43A, VAL43C, VAL64A, VAL64C, VAL67A, VAL67C, VAL78A, VAL78C, VAL80A, VAL80C, VAL91A, VAL91C, VAL95A, VAL95C
• A-D: ALA105A, ALA105D, ALA312A, ALA312D, ALA317A, ALA317D, ALA318A, ALA318D, ALA325A, ALA325D, ALA38D, ALA59A, ALA59D, ALA84A, ALA84D, ARG101A, ARG101D, ASN311A, ASN311D, ASP102A, ASP102D, ASP297A, CYS104A, CYS104D, CYS320A, CYS320D, CYS39D, GLN107D, GLU100A, GLU100D, GLU103A, GLU103D, GLU108A, GLU108D, GLU298A, GLU313A, GLU313D, GLU50A, GLU50D, GLU58A, GLU58D, GLY273A, GLY273D, GLY46A, GLY46D, GLY57A, GLY57D, HIS241A, HIS241D, HIS315A, HIS315D, HIS60A, HIS60D, ILE296A, ILE314A, ILE314D, ILE44A, ILE44D, LEU238A, LEU238D, LEU240A, LEU240D, LEU307A, LEU307D, LEU321A, LEU321D, LEU62A, LEU62D, LYS290A, LYS290D, LYS308A, LYS308D, LYS326A, LYS326D, LYS327A, LYS327D, LYS63A, LYS63D, PHE309A, PHE309D, PHE319A, PHE319D, PHE324A, PHE324D, PHE40D, PHE48A, PHE48D, PHE81A, PHE81D, PRO268A, PRO268D, PRO271A, PRO271D, PRO306A, PRO306D, PRO322A, PRO322D, PRO45A, PRO45D, PRO56A, PRO56D, SER237A, SER237D, SER266A, SER266D, SER272A, SER272D, SER316A, SER316D, SER323A, SER323D, SER41A, SER41D, SER49A, SER49D, SER52A, SER52D, SER61A, SER61D, SER83A, SER83D, THR265A, THR265D, THR269A, THR269D, THR42A, THR42D, THR85A, THR85D, THR99A, THR99D, TRP239A, TRP239D, TRP264A, TRP264D, TRP47A, TRP47D, TRP55A, TRP55D, TYR106A, TYR106D, TYR270A, TYR270D, TYR310A, TYR310D, TYR86A, TYR86D, VAL267A, VAL267D, VAL274A, VAL274D, VAL43A, VAL43D, VAL64A, VAL64D
• B-C: ALA105B, ALA105C, ALA312B, ALA312C, ALA317B, ALA317C, ALA318B, ALA318C, ALA325B, ALA325C, ALA38B, ALA59B, ALA59C, ALA84B, ALA84C, ARG101B, ARG101C, ASN311B, ASN311C, ASP102B, ASP102C, ASP297C, CYS104B, CYS104C, CYS320B, CYS320C, CYS39B, GLU100B, GLU100C, GLU103B, GLU103C, GLU108B, GLU108C, GLU298C, GLU313B, GLU313C, GLU50B, GLU50C, GLU58B, GLU58C, GLY273B, GLY273C, GLY46B, GLY46C, GLY57B, GLY57C, HIS241B, HIS241C, HIS315B, HIS315C, HIS60B, HIS60C, ILE275B, ILE275C, ILE296C, ILE314B, ILE314C, ILE44B, ILE44C, LEU238B, LEU238C, LEU240B, LEU240C, LEU307B, LEU307C, LEU321B, LEU321C, LEU62B, LEU62C, LYS290B, LYS290C, LYS308B, LYS308C, LYS326B, LYS326C, LYS327B, LYS327C, LYS63B, LYS63C, PHE309B, PHE309C, PHE319B, PHE319C, PHE324B, PHE324C, PHE40B, PHE48B, PHE48C, PHE81B, PHE81C, PRO268B, PRO268C, PRO271B, PRO271C, PRO306B, PRO306C, PRO322B, PRO322C, PRO45B, PRO45C, PRO56B, PRO56C, SER237B, SER237C, SER266B, SER266C, SER272B, SER272C, SER316B, SER316C, SER323B, SER323C, SER41B, SER41C, SER49B, SER49C, SER52B, SER52C, SER61B, SER61C, SER83B, SER83C, THR265B, THR265C, THR269B, THR269C, THR42B, THR42C, THR85B, THR85C, THR99C, TRP239B, TRP239C, TRP264B, TRP264C, TRP47B, TRP47C, TRP55B, TRP55C, TYR106B, TYR106C, TYR270B, TYR270C, TYR310B, TYR310C, TYR86B, TYR86C, VAL267B, VAL267C, VAL274B, VAL274C, VAL43B, VAL43C, VAL64B, VAL64C
• C-D: ASP153C, ASP158C, ASP74C, GLN162C, GLN70C, GLY46D, GLY71C, ILE44D, LEU68C, LYS154C, LYS63D, LYS72C, PHE163C, PHE40D, PHE69C, PRO45D, SER160C, SER73C, THR42D, TRP47D, TYR75C, VAL156C, VAL157C, VAL159C, VAL43D, VAL78C