3GGZ

crystal structure of s.cerevisiae ist1 n-terminal domain in complex with did2 mim motif

• Total interactions analyzed: 28
• Total true interactions: 10
• Strongest Interaction:
  • Chains: C-G
  • Int. Res.: 53
  • Norm. En. per Res.: -4.5307
• 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	-35.3135	-116.9249	-174.181	-326.4194	93	18	6	8204	9	38	28
A-C	0.0	10.6232	-2.9423	7.6809	16	0	1	343	0	3	3
A-D	-25.4076	-109.8905	-159.499	-294.7971	88	15	7	7677	7	34	27
A-E	-11.0394	-115.8696	-106.056	-232.965	53	12	1	5867	5	38	34
A-F	0.0	4.8501	-6.3633	-1.5132	11	1	0	543	0	2	3
B-C	0.0	0.0	-56.3289	-56.3289	46	1	2	2768	0	6	4
B-F	-6.7274	-97.7865	-110.385	-214.8989	54	7	4	5698	3	40	33
C-G	-12.7827	-90.1188	-137.226	-240.1275	53	12	2	6456	4	34	31
D-E	0.0	0.0	-8.538	-8.538	15	3	0	568	0	2	4
D-H	-3.595	-115.3402	-122.256	-241.1913	56	18	2	6435	5	41	35

Interface residues

• A-B: ALA108B, ALA115A, ALA53A, ALA82B, ARG24B, ARG56A, ARG83B, ASN142A, ASN88B, ASP102B, ASP103B, ASP120A, ASP63A, ASP64A, CYS159A, CYS77B, GLN21B, GLN27B, GLN30A, GLN31B, GLN36A, GLN40A, GLN51A, GLN85B, GLU107B, GLU121A, GLU166A, GLU28B, GLU50A, GLU58A, GLU68B, GLU71B, GLU74B, GLU78B, GLY104B, HIS54A, HIS62A, HIS66A, ILE105B, ILE10B, ILE116A, ILE145A, ILE156A, ILE20B, ILE33A, ILE61A, ILE65A, ILE67B, ILE6B, ILE72B, ILE87B, LEU117A, LEU44A, LEU60A, LEU69A, LEU70B, LEU73B, LEU75B, LEU79B, LEU80B, LEU81B, LYS129A, LYS13B, LYS154B, LYS157A, LYS158A, LYS165A, LYS17B, LYS29A, LYS49A, LYS52A, MET5B, PHE118A, PRO161A, PRO164A, PRO7B, SER160A, SER162A, SER37A, THR14B, THR47A, THR59A, THR9B, TYR114A, TYR55A, TYR76B, VAL119A, VAL163A, VAL169A, VAL41A, VAL57A, VAL84B, VAL86B
• A-C: ALA146A, ALA146C, ASN142A, ASN142C, ASP147A, ASP147C, GLU139A, GLU139C, GLY143A, GLY143C, ILE145A, ILE145C, LEU117A, LEU117C, VAL138A, VAL138C
• A-D: ALA108A, ALA115D, ALA53D, ALA82A, ARG24A, ARG56D, ARG83A, ASN88A, ASP102A, ASP103A, ASP120D, ASP63D, CYS159D, CYS77A, GLN21A, GLN27A, GLN30D, GLN31A, GLN36D, GLN40D, GLN51D, GLN85A, GLU107A, GLU121D, GLU166D, GLU28A, GLU50D, GLU58D, GLU68A, GLU71A, GLU74A, GLU78A, GLY104A, HIS54D, HIS62D, HIS66D, ILE105A, ILE10A, ILE116D, ILE145D, ILE20A, ILE33D, ILE61D, ILE65D, ILE67A, ILE6A, ILE72A, ILE87A, LEU117D, LEU44D, LEU60D, LEU69D, LEU70A, LEU73A, LEU75A, LEU79A, LEU80A, LEU81A, LYS129D, LYS13A, LYS154A, LYS157D, LYS158D, LYS165D, LYS17A, LYS49D, LYS52D, MET5A, PHE118D, PRO161D, PRO164D, PRO7A, SER160D, SER162D, SER37D, THR14A, THR47D, THR59D, THR9A, TYR114D, TYR55D, TYR76A, VAL119D, VAL163D, VAL169D, VAL57D, VAL84A, VAL86A
• A-E: ALA177A, ALA196E, ALA201E, ALA34A, ALA42A, ARG198E, ARG200E, ARG203E, ARG38A, ARG39A, ASP170A, ASP188E, ASP189E, ASP193E, ASP63A, ASP64A, GLN197E, GLN27A, GLN31A, GLN36A, GLU167A, GLU175A, GLU190E, GLU192E, GLU68A, GLU71A, GLY204E, HIS62A, HIS66A, ILE176A, ILE61A, ILE65A, ILE67A, ILE72A, LEU168A, LEU171A, LEU173A, LEU195E, LEU199E, LEU202E, LEU60A, LEU69A, LYS158A, LYS174A, LYS178A, LYS191E, LYS194E, LYS35A, THR179A, TYR172A, TYR180A, VAL41A, VAL57A
• A-F: ARG200F, ARG203F, ASN48A, ASP193F, GLN197F, GLN43A, GLU50A, LEU46A, LYS49A, LYS52A, THR47A
• B-C: ALA133B, ALA133C, ASN137B, ASN137C, ASN142B, ASN142C, ASN88B, ASN88C, ASP130B, ASP130C, GLU139B, ILE10B, ILE10C, ILE136B, ILE136C, ILE145C, ILE6B, ILE6C, LEU131B, LEU131C, LYS11B, LYS11C, LYS129B, LYS129C, LYS135B, LYS135C, MET132B, MET132C, MET5B, MET5C, PHE8B, PHE8C, PRO7B, PRO7C, SER91B, SER91C, THR92B, THR92C, THR9B, THR9C, TRP134B, TRP134C, VAL138B, VAL138C, VAL141B, VAL141C
• B-F: ALA177B, ALA196F, ALA201F, ALA34B, ALA42B, ARG198F, ARG200F, ARG203F, ARG38B, ARG39B, ASP170B, ASP181B, ASP188F, ASP189F, ASP193F, ASP63B, ASP64B, GLN197F, GLN31B, GLN36B, GLU167B, GLU175B, GLU192F, GLU68B, GLU71B, GLY204F, HIS62B, HIS66B, ILE176B, ILE61B, ILE65B, ILE67B, ILE72B, LEU168B, LEU171B, LEU173B, LEU195F, LEU199F, LEU202F, LEU60B, LEU69B, LYS158B, LYS174B, LYS178B, LYS191F, LYS194F, LYS35B, SER37B, THR179B, TYR172B, TYR180B, VAL169B, VAL41B, VAL57B
• C-G: ALA177C, ALA196G, ALA201G, ALA34C, ALA42C, ARG198G, ARG200G, ARG203G, ARG38C, ARG39C, ASP170C, ASP181C, ASP189G, ASP193G, ASP63C, ASP64C, GLN197G, GLN31C, GLN36C, GLU167C, GLU175C, GLU190G, GLU192G, GLU68C, GLU71C, GLY204G, HIS62C, HIS66C, ILE176C, ILE61C, ILE65C, ILE67C, LEU168C, LEU171C, LEU173C, LEU195G, LEU199G, LEU202G, LEU60C, LEU69C, LYS154C, LYS158C, LYS174C, LYS178C, LYS191G, LYS194G, LYS35C, THR179C, TYR172C, TYR180C, VAL169C, VAL41C, VAL57C
• D-E: ALA201E, ARG200E, ARG203E, ASN48D, ASP193E, GLN197E, GLN43D, GLU190E, LEU44D, LEU45D, LEU46D, LYS194E, LYS49D, LYS52D, THR47D
• D-H: ALA177D, ALA196H, ALA201H, ALA34D, ALA42D, ARG198H, ARG200H, ARG203H, ARG38D, ARG39D, ASP181D, ASP188H, ASP189H, ASP193H, ASP64D, GLN197H, GLN27D, GLN31D, GLN36D, GLN43D, GLU167D, GLU175D, GLU190H, GLU192H, GLU68D, GLU71D, GLY204H, HIS62D, HIS66D, ILE176D, ILE61D, ILE65D, ILE67D, LEU168D, LEU171D, LEU173D, LEU195H, LEU199H, LEU202H, LEU46D, LEU60D, LEU69D, LYS158D, LYS174D, LYS178D, LYS191H, LYS194H, LYS35D, PRO161D, THR179D, TYR172D, TYR180D, VAL182D, VAL187H, VAL41D, VAL57D