2I22

crystal structure of escherichia coli phosphoheptose isomerase in complex with reaction substrate sedoheptulose 7-phosphate

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 71
  • Norm. En. per Res.: -4.0035
• Hub Node: A(2)

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	-66.0766	11.4137	-215.059	-269.722	68	19	7	8241	0	25	26
A-D	-38.244	-116.9708	-392.525	-547.7398	154	34	25	20153	4	62	66
B-C	-30.1036	-129.6806	-383.882	-543.6662	148	35	20	20027	7	59	61
C-D	-70.2258	7.8086	-221.828	-284.2452	71	22	7	8418	2	24	28

Interface residues

• A-B: ALA107A, ALA107B, ALA133A, ALA133B, ARG103A, ARG103B, ARG110A, ARG110B, ARG71A, ARG71B, ARG74A, ARG74B, ASN73A, ASN73B, ASN98A, ASN98B, ASP113A, ASP113B, ASP99A, ASP99B, GLU106A, GLU106B, GLU111A, GLU111B, GLU136A, GLU136B, GLU72A, GLU72B, GLY109A, GLY109B, GLY76A, GLY76B, ILE100A, ILE100B, ILE80A, ILE80B, ILE82A, ILE82B, LEU48A, LEU48B, LYS137A, LYS137B, LYS46A, LYS46B, MET139A, MET139B, PHE101A, PHE101B, PRO75A, PRO75B, PRO78A, PRO78B, SER102A, SER102B, SER83A, SER83B, THR67A, THR67B, TYR104A, TYR104B, TYR70A, TYR70B, TYR77A, TYR77B, VAL105A, VAL105B, VAL108A, VAL108B
• A-D: ALA13A, ALA13D, ALA14A, ALA14D, ALA168A, ALA168D, ALA18A, ALA18D, ALA25A, ALA25D, ALA29A, ALA29D, ALA33A, ALA33D, ALA34A, ALA34D, ALA38D, ALA59A, ALA59D, ARG170A, ARG170D, ARG32A, ARG32D, ARG69A, ARG69D, ARG7A, ARG7D, ASN11A, ASN11D, ASN26A, ASN26D, ASN52A, ASN52D, ASN8A, ASN8D, ASP169A, ASP169D, ASP23A, ASP23D, ASP24A, ASP24D, ASP4A, ASP4D, ASP58A, ASP58D, CYS57A, CYS57D, GLN172A, GLN172D, GLN184A, GLN184D, GLN31A, GLN31D, GLN3A, GLN3D, GLU12A, GLU12D, GLU15A, GLU15D, GLU173A, GLU173D, GLU187A, GLU187D, GLU189A, GLU189D, GLU64A, GLU64D, GLU65A, GLU65D, GLU9A, GLU9D, GLY53A, GLY53D, GLY54A, GLY54D, HIS175A, HIS175D, HIS180A, HIS180D, HIS28A, HIS28D, HIS56A, HIS56D, HIS61A, HIS61D, ILE160A, ILE160D, ILE171A, ILE171D, ILE174A, ILE174D, ILE176A, ILE176D, ILE179A, ILE179D, ILE181A, ILE181D, ILE183A, ILE183D, ILE186A, ILE186D, ILE27A, ILE27D, ILE30A, ILE30D, ILE6A, ILE6D, LEU10A, LEU10D, LEU17A, LEU17D, LEU182A, LEU182D, LEU185A, LEU185D, LEU21A, LEU21D, LEU5A, LEU5D, LYS177A, LYS177D, LYS188A, LYS188D, LYS192A, LYS192D, LYS22A, LYS22D, LYS42A, LYS42D, MET190A, MET190D, MET1A, MET1D, MET60A, MET60D, PHE20A, PHE20D, PHE62A, PHE62D, SER55A, SER55D, THR120D, THR16A, THR16D, TYR167A, TYR167D, TYR2A, TYR2D, VAL178A, VAL178D, VAL191A, VAL191D, VAL35A, VAL35D
• B-C: ALA13B, ALA13C, ALA14B, ALA14C, ALA168B, ALA168C, ALA18B, ALA18C, ALA25B, ALA25C, ALA29B, ALA29C, ALA34B, ALA34C, ALA38C, ALA59B, ALA59C, ARG170B, ARG170C, ARG32B, ARG32C, ARG69B, ARG69C, ARG7B, ARG7C, ASN11B, ASN11C, ASN26B, ASN26C, ASN52B, ASN8B, ASN8C, ASP169B, ASP169C, ASP23B, ASP23C, ASP24B, ASP24C, ASP4B, ASP4C, ASP58B, ASP58C, CYS57B, CYS57C, GLN172B, GLN172C, GLN184B, GLN184C, GLN31B, GLN31C, GLN3B, GLN3C, GLU12B, GLU12C, GLU15B, GLU15C, GLU173B, GLU173C, GLU187B, GLU187C, GLU189B, GLU189C, GLU64B, GLU64C, GLU65B, GLU65C, GLU9B, GLU9C, GLY53B, GLY53C, GLY54B, GLY54C, HIS175B, HIS175C, HIS180B, HIS180C, HIS28B, HIS28C, HIS56B, HIS56C, HIS61B, HIS61C, ILE171B, ILE171C, ILE174B, ILE174C, ILE176B, ILE176C, ILE179B, ILE179C, ILE181B, ILE181C, ILE183B, ILE183C, ILE186B, ILE186C, ILE27B, ILE27C, ILE30B, ILE30C, ILE6B, ILE6C, LEU10B, LEU10C, LEU17B, LEU17C, LEU182B, LEU182C, LEU185B, LEU185C, LEU21B, LEU21C, LEU5B, LEU5C, LYS177B, LYS177C, LYS188B, LYS188C, LYS192B, LYS192C, LYS22B, LYS22C, LYS42B, LYS42C, MET190B, MET190C, MET1B, MET1C, MET60B, MET60C, PHE20B, PHE20C, PHE62B, SER55B, SER55C, THR120B, THR120C, THR16B, THR16C, TYR167B, TYR167C, TYR2B, TYR2C, VAL178B, VAL178C, VAL191C, VAL35B, VAL35C
• C-D: ALA107C, ALA107D, ALA133C, ALA133D, ALA79C, ALA79D, ARG103C, ARG103D, ARG110C, ARG110D, ARG71C, ARG71D, ARG74C, ARG74D, ASN73C, ASN73D, ASN98D, ASP113C, ASP113D, ASP99C, ASP99D, GLU106C, GLU106D, GLU111C, GLU111D, GLU136C, GLU136D, GLU72C, GLU72D, GLY109C, GLY109D, GLY44C, GLY44D, GLY76C, GLY76D, ILE100C, ILE100D, ILE80C, ILE80D, ILE82C, ILE82D, LEU48C, LEU48D, LYS137C, LYS137D, LYS46C, LYS46D, MET139C, MET139D, PHE101C, PHE101D, PRO75C, PRO75D, PRO78C, PRO78D, SER102C, SER102D, SER83C, SER83D, THR67C, THR67D, TYR104C, TYR104D, TYR70C, TYR70D, TYR77C, TYR77D, VAL105C, VAL105D, VAL108C, VAL108D