1TK9

crystal structure of phosphoheptose isomerase 1

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 163
  • Norm. En. per Res.: -3.7547
• 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	-25.5439	0.0	-191.352	-216.8959	80	19	2	6912	0	6	6
A-C	-22.625	25.8854	-293.796	-290.5356	114	18	16	10799	0	32	27
A-D	-42.2473	-88.3005	-481.451	-611.9988	164	14	15	20520	8	68	68
B-C	-47.0442	-87.9635	-477.002	-612.0097	163	12	15	20331	8	69	70
B-D	-37.5076	-36.7037	-295.787	-369.9983	116	17	16	10768	1	32	27
C-D	-9.4928	0.0	-193.687	-203.1798	82	19	2	6878	0	6	6

Interface residues

• A-B: ALA54A, ALA54B, ALA55A, ALA55B, ALA57A, ALA57B, ALA79A, ALA86A, ALA86B, ALA89A, ALA89B, ASN125A, ASN125B, ASN50A, ASN50B, ASN92A, ASN92B, ASP56A, ASP56B, ASP83A, ASP83B, ASP93A, ASP93B, GLN170A, GLN58A, GLN58B, GLU97A, GLU97B, GLY49A, GLY49B, GLY51A, GLY51B, GLY52A, GLY52B, GLY91A, GLY91B, GLY95A, GLY95B, ILE90A, ILE90B, LEU127A, LEU127B, LEU80A, LEU80B, LEU87A, LEU87B, LYS122A, LYS122B, PHE100A, PHE100B, PHE96A, PHE96B, PRO124A, PRO124B, SER118A, SER118B, SER120A, SER120B, SER123A, SER123B, SER53A, SER53B, SER85A, SER85B, SER88A, SER88B, THR166A, THR166B, THR81A, THR81B, THR82A, THR82B, THR84A, THR84B, TYR94A, TYR94B, VAL126A, VAL126B, VAL99A, VAL99B
• A-C: ALA106A, ALA106C, ALA54C, ALA55A, ALA55C, ALA57A, ALA57C, ALA61A, ALA61C, ALA62A, ALA62C, ALA74A, ALA74C, ALA76A, ALA76C, ALA79A, ALA79C, ALA86A, ALA86C, ALA89A, ALA89C, ARG102A, ARG102C, ARG67A, ARG67C, ARG72A, ARG72C, ASN109A, ASP83A, ASP83C, ASP93A, ASP93C, GLN103A, GLN103C, GLN58A, GLN58C, GLU105A, GLU105C, GLU63A, GLU63C, GLU71A, GLU71C, GLY108A, GLY108C, GLY42C, GLY43A, GLY43C, GLY66A, GLY66C, GLY77A, GLY77C, GLY95C, HIS59A, HIS59C, ILE45A, ILE45C, ILE47A, ILE47C, ILE78A, ILE78C, ILE90A, ILE90C, LEU107A, LEU107C, LEU136A, LEU136C, LEU39A, LEU39C, LEU46A, LEU46C, LEU64A, LEU64C, LEU75A, LEU75C, LEU80A, LEU80C, LEU87A, LEU87C, LYS111A, LYS111C, LYS132C, LYS44A, LYS44C, LYS69A, LYS69C, LYS70A, LYS70C, LYS73A, LYS73C, PHE60A, PHE60C, PHE98C, SER101A, SER101C, SER65A, SER65C, SER85A, SER85C, SER88A, SER88C, THR81A, THR81C, THR82A, THR82C, THR84A, THR84C, TYR68A, TYR68C, TYR94A, TYR94C, VAL104A, VAL104C, VAL99A, VAL99C
• A-D: ALA167A, ALA167D, ALA20A, ALA20D, ALA29A, ALA29D, ALA54A, ALA54D, ALA55A, ALA55D, ALA57A, ALA57D, ALA62A, ALA62D, ARG168A, ARG168D, ARG67A, ARG67D, ASN50D, ASN5A, ASN5D, ASP164A, ASP164D, ASP165A, ASP165D, ASP185A, ASP185D, ASP56A, ASP56D, ASP83A, ASP83D, CYS181A, CYS181D, CYS36A, CYS36D, GLN12A, GLN12D, GLN15A, GLN15D, GLN170A, GLN170D, GLN182A, GLN182D, GLN19A, GLN19D, GLN27A, GLN27D, GLN58A, GLN58D, GLU10A, GLU10D, GLU13A, GLU13D, GLU171A, GLU171D, GLU186A, GLU186D, GLU22A, GLU22D, GLU33A, GLU33D, GLU63A, GLU63D, GLU8A, GLU8D, GLY26A, GLY26D, GLY32A, GLY32D, GLY51A, GLY51D, GLY52A, GLY52D, HIS14A, HIS14D, HIS173A, HIS173D, HIS178A, HIS178D, HIS59A, HIS59D, ILE169A, ILE169D, ILE174A, ILE174D, ILE176A, ILE176D, ILE177A, ILE177D, ILE17A, ILE17D, ILE183A, ILE183D, ILE184A, ILE184D, ILE23A, ILE23D, ILE28A, ILE28D, ILE4A, ILE4D, LEU159A, LEU159D, LEU175A, LEU175D, LEU180A, LEU180D, LEU24A, LEU24D, LEU34A, LEU34D, LEU3A, LEU3D, LEU6A, LEU6D, LYS146A, LYS146D, LYS16A, LYS16D, LYS25A, LYS25D, LYS30A, LYS30D, LYS69A, LYS69D, LYS9A, LYS9D, PHE60A, PHE60D, PRO162A, PRO162D, SER163D, SER187A, SER187D, SER21A, SER21D, SER2A, SER2D, SER53A, SER53D, THR119A, THR119D, THR166A, THR166D, THR179A, THR179D, THR81A, THR81D, THR82A, THR82D, THR84A, THR84D, TRP11A, TRP11D, TYR68A, TYR68D, VAL161A, VAL161D, VAL18A, VAL18D, VAL31A, VAL31D, VAL7A, VAL7D
• B-C: ALA167B, ALA167C, ALA20B, ALA20C, ALA29B, ALA29C, ALA54B, ALA54C, ALA55B, ALA55C, ALA57B, ALA57C, ALA62B, ALA62C, ARG168B, ARG168C, ARG67B, ARG67C, ASN50C, ASN5B, ASN5C, ASP164B, ASP164C, ASP165B, ASP165C, ASP185B, ASP185C, ASP56B, ASP56C, ASP83B, ASP83C, CYS181B, CYS181C, CYS36B, CYS36C, GLN12B, GLN12C, GLN15B, GLN15C, GLN170B, GLN170C, GLN182B, GLN182C, GLN19B, GLN19C, GLN27B, GLN27C, GLN58B, GLN58C, GLU10B, GLU10C, GLU13B, GLU13C, GLU171B, GLU171C, GLU186B, GLU186C, GLU22B, GLU22C, GLU33B, GLU33C, GLU63B, GLU63C, GLU8B, GLU8C, GLY26B, GLY26C, GLY32B, GLY32C, GLY51B, GLY51C, GLY52B, GLY52C, HIS14B, HIS14C, HIS173B, HIS173C, HIS178B, HIS178C, HIS59B, HIS59C, ILE169B, ILE169C, ILE174B, ILE174C, ILE176B, ILE176C, ILE177B, ILE177C, ILE17B, ILE17C, ILE183B, ILE183C, ILE184B, ILE184C, ILE23B, ILE23C, ILE28B, ILE28C, ILE4B, ILE4C, LEU159B, LEU159C, LEU175B, LEU175C, LEU180B, LEU180C, LEU24B, LEU24C, LEU34B, LEU34C, LEU3B, LEU3C, LEU6B, LEU6C, LYS146B, LYS146C, LYS16B, LYS16C, LYS25B, LYS25C, LYS30B, LYS30C, LYS69B, LYS69C, LYS9B, LYS9C, PHE60B, PHE60C, PRO162B, PRO162C, SER187B, SER187C, SER21B, SER21C, SER2B, SER2C, SER53B, SER53C, THR119B, THR119C, THR166B, THR166C, THR179B, THR179C, THR81B, THR81C, THR82B, THR82C, THR84B, THR84C, TRP11B, TRP11C, TYR68B, TYR68C, VAL161B, VAL161C, VAL18B, VAL18C, VAL31B, VAL31C, VAL7B, VAL7C
• B-D: ALA106B, ALA106D, ALA54B, ALA55B, ALA55D, ALA57B, ALA57D, ALA61B, ALA61D, ALA62B, ALA62D, ALA74B, ALA74D, ALA76B, ALA76D, ALA79B, ALA79D, ALA86B, ALA86D, ALA89B, ALA89D, ARG102B, ARG102D, ARG67B, ARG67D, ARG72B, ARG72D, ASN109B, ASN109D, ASN92D, ASP56B, ASP83B, ASP83D, ASP93B, ASP93D, GLN103B, GLN103D, GLN58B, GLN58D, GLU105B, GLU105D, GLU63B, GLU63D, GLU71B, GLU71D, GLY108B, GLY108D, GLY42B, GLY42D, GLY43B, GLY43D, GLY66B, GLY66D, GLY77B, GLY77D, HIS59B, HIS59D, ILE45B, ILE45D, ILE47B, ILE47D, ILE78B, ILE78D, ILE90B, ILE90D, LEU107B, LEU107D, LEU136B, LEU136D, LEU39B, LEU39D, LEU46B, LEU46D, LEU64B, LEU64D, LEU75B, LEU75D, LEU80B, LEU80D, LEU87B, LEU87D, LYS111B, LYS111D, LYS132D, LYS44B, LYS44D, LYS69B, LYS69D, LYS70B, LYS70D, LYS73B, LYS73D, PHE60B, PHE60D, SER101B, SER101D, SER65B, SER65D, SER85B, SER85D, SER88B, SER88D, THR81B, THR81D, THR82B, THR82D, THR84B, THR84D, TYR68B, TYR68D, TYR94B, TYR94D, VAL104B, VAL104D, VAL99B, VAL99D
• C-D: ALA54C, ALA54D, ALA55C, ALA55D, ALA57C, ALA57D, ALA86C, ALA86D, ALA89C, ALA89D, ASN125C, ASN125D, ASN50C, ASN50D, ASN92C, ASN92D, ASP56C, ASP56D, ASP83C, ASP83D, ASP93C, ASP93D, CYS48C, GLN170C, GLN170D, GLN58C, GLN58D, GLU97C, GLU97D, GLY49C, GLY49D, GLY51C, GLY51D, GLY52C, GLY52D, GLY91C, GLY91D, GLY95C, GLY95D, ILE117D, ILE90C, ILE90D, LEU127C, LEU127D, LEU80C, LEU80D, LEU87C, LEU87D, LYS122C, LYS122D, PHE100C, PHE100D, PHE96C, PHE96D, PRO124C, PRO124D, SER118C, SER118D, SER120C, SER120D, SER123C, SER123D, SER53C, SER53D, SER85C, SER85D, SER88C, SER88D, THR166C, THR166D, THR81C, THR81D, THR82C, THR82D, THR84C, THR84D, TYR94C, TYR94D, VAL126C, VAL126D, VAL99C, VAL99D