3HM7

crystal structure of allantoinase from bacillus halodurans c-125

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 44
  • Norm. En. per Res.: -3.665
• 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	-25.1582	-34.0065	-230.031	-289.1957	95	8	4	10169	6	62	50
A-D	-43.4819	-46.0046	-71.7755	-161.2621	44	8	0	3085	5	30	25
A-E	-59.446	-23.2991	-193.363	-276.1082	92	11	8	8435	1	18	17
B-F	-60.5969	-45.3788	-206.009	-311.9847	98	11	9	8577	3	17	19
C-D	-21.0432	-31.85	-159.852	-212.7452	91	6	9	7252	1	15	12
C-E	0.0	6.5552	-0.7366	5.8186	11	0	0	117	0	16	12
E-F	-49.6147	-24.15	-239.933	-313.6977	100	9	4	10278	8	61	52

Interface residues

• A-B: ALA195A, ALA195B, ALA214A, ALA214B, ALA223A, ALA223B, ALA231A, ALA231B, ALA255A, ALA255B, ARG205A, ARG226A, ARG226B, ARG229A, ARG229B, ARG251A, ARG251B, ASN190A, ASN190B, ASN194A, ASN194B, ASP166A, ASP166B, GLN232A, GLN232B, GLN254A, GLN254B, GLU167A, GLU167B, GLU191A, GLU191B, GLU203A, GLU203B, GLU213A, GLU213B, GLU220A, GLU220B, GLU222A, GLU222B, GLU225A, GLU225B, GLU258A, GLU258B, HIS165A, HIS165B, ILE199A, ILE199B, ILE217A, ILE217B, ILE227A, ILE227B, LEU169A, LEU169B, LEU170A, LEU170B, LEU196A, LEU196B, LEU221A, LEU221B, LEU228A, LEU228B, LEU233A, LEU233B, LYS171A, LYS171B, LYS174A, LYS174B, LYS247A, LYS247B, LYS250A, LYS250B, MET192A, MET192B, PHE230A, PHE230B, PRO216A, PRO216B, SER189A, SER189B, SER219A, SER219B, THR168A, THR168B, THR198A, THR198B, THR234A, THR234B, VAL193A, VAL193B, VAL218A, VAL218B, VAL224A, VAL224B, VAL248A, VAL248B
• A-D: ARG419A, ARG419D, ARG421A, ARG421D, ASN396A, ASN396D, ASP394A, ASP394D, ASP437A, ASP437D, GLU397A, GLU397D, GLY417A, GLY417D, GLY422A, GLY422D, GLY52A, GLY52D, HIS352A, HIS426D, HIS438A, HIS438D, HIS54D, ILE393D, LEU395A, LEU395D, LEU53A, LEU53D, LYS353A, LYS355D, LYS423A, LYS423D, LYS425A, LYS425D, PHE420A, PHE420D, SER398A, SER398D, THR400A, THR400D, THR51A, THR51D, TYR399A, TYR399D
• A-E: ALA22A, ALA22E, ALA25A, ALA25E, ALA306A, ALA306E, ALA33A, ALA33E, ALA386A, ALA386E, ARG21A, ARG21E, ARG246A, ARG246E, ARG27A, ARG27E, ARG3A, ARG3E, ASN28A, ASN28E, ASP23A, ASP23E, GLN254A, GLN254E, GLN363A, GLN363E, GLN378E, GLN383A, GLN383E, GLU16A, GLU16E, GLU36A, GLU36E, GLY257A, GLY257E, GLY380A, GLY380E, GLY385A, GLY385E, GLY38A, ILE30A, ILE30E, ILE34A, ILE34E, ILE382A, ILE382E, ILE40A, ILE40E, LYS253A, LYS253E, LYS371A, LYS371E, PHE4A, PHE4E, PRO377A, PRO377E, PRO37A, PRO37E, SER32A, SER32E, SER39A, SER39E, SER41A, SER41E, THR15A, THR15E, THR17A, THR17E, THR18A, THR18E, THR19A, THR19E, THR359A, THR359E, THR35A, THR35E, THR367A, THR367E, THR381A, THR381E, TYR20A, TYR20E, TYR376A, TYR376E, VAL13A, VAL13E, VAL24A, VAL24E, VAL31A, VAL31E, VAL384A, VAL384E
• B-F: ALA22B, ALA22F, ALA25B, ALA25F, ALA306B, ALA306F, ALA33B, ALA33F, ALA386B, ALA386F, ARG21B, ARG21F, ARG246B, ARG246F, ARG27B, ARG27F, ARG3B, ARG3F, ASN28B, ASN28F, ASP23B, ASP23F, ASP44B, ASP44F, GLN254B, GLN254F, GLN363B, GLN363F, GLN378B, GLN378F, GLN383B, GLN383F, GLU16B, GLU16F, GLU36B, GLU36F, GLY257B, GLY257F, GLY385B, GLY385F, GLY38B, GLY38F, ILE26F, ILE30B, ILE30F, ILE34B, ILE34F, ILE382B, ILE382F, ILE40B, ILE40F, LYS250F, LYS253B, LYS253F, LYS371B, LYS371F, LYS379B, LYS379F, PHE4B, PHE4F, PRO377B, PRO377F, PRO37B, PRO37F, SER32B, SER32F, SER39B, SER39F, SER41B, SER41F, THR15B, THR15F, THR17B, THR17F, THR18B, THR18F, THR19B, THR19F, THR359B, THR359F, THR35B, THR35F, THR367B, THR367F, THR381B, THR381F, TYR20B, TYR20F, TYR376B, TYR376F, VAL13B, VAL13F, VAL24B, VAL24F, VAL31B, VAL31F, VAL384B, VAL384F
• C-D: ALA22C, ALA22D, ALA25C, ALA25D, ALA306C, ALA306D, ALA33C, ALA33D, ALA386C, ALA386D, ARG21C, ARG21D, ARG246C, ARG246D, ARG27C, ARG27D, ARG3C, ARG3D, ASN28D, ASP23C, ASP23D, GLN254D, GLN363C, GLN363D, GLN378C, GLN378D, GLN383C, GLN383D, GLU16C, GLU16D, GLU36C, GLU36D, GLY257C, GLY257D, GLY385C, GLY385D, ILE26D, ILE30C, ILE30D, ILE34C, ILE34D, ILE382C, ILE382D, ILE40C, ILE40D, LYS250D, LYS253C, LYS253D, LYS371C, LYS371D, LYS379D, PHE4C, PHE4D, PRO377C, PRO377D, PRO37C, PRO37D, SER32C, SER32D, SER39C, SER39D, SER41C, SER41D, THR15C, THR15D, THR17C, THR17D, THR18C, THR18D, THR19C, THR19D, THR359C, THR359D, THR35C, THR35D, THR367C, THR367D, THR381C, THR381D, TYR20C, TYR20D, TYR376C, TYR376D, VAL13C, VAL13D, VAL24C, VAL24D, VAL31C, VAL31D, VAL384C, VAL384D
• C-E: ARG106C, ARG106E, ARG113C, ARG113E, ASP110C, ASP110E, ASP140E, GLN114C, GLN114E, GLY144C, GLY144E
• E-F: ALA195E, ALA195F, ALA214E, ALA214F, ALA223E, ALA223F, ALA231E, ALA231F, ALA255F, ARG205E, ARG205F, ARG226E, ARG226F, ARG229E, ARG229F, ARG251E, ARG251F, ASN190E, ASN190F, ASN194E, ASN194F, ASP166E, ASP166F, GLN232E, GLN232F, GLN254E, GLN254F, GLU167E, GLU167F, GLU191E, GLU191F, GLU203E, GLU203F, GLU213E, GLU213F, GLU220E, GLU220F, GLU222E, GLU222F, GLU225E, GLU225F, GLU258E, GLU258F, HIS165E, HIS165F, ILE199E, ILE199F, ILE217E, ILE217F, ILE227E, ILE227F, LEU169E, LEU169F, LEU170E, LEU170F, LEU196E, LEU196F, LEU221E, LEU221F, LEU228E, LEU228F, LEU233E, LEU233F, LYS171E, LYS171F, LYS174E, LYS174F, LYS247E, LYS247F, LYS250E, LYS250F, MET153E, MET153F, MET173E, MET192E, MET192F, PHE230E, PHE230F, PRO216E, PRO216F, SER189E, SER189F, SER219E, SER219F, THR168E, THR168F, THR198E, THR198F, THR234E, THR234F, VAL193E, VAL193F, VAL218E, VAL218F, VAL224E, VAL224F, VAL248E, VAL248F, VAL260E, VAL260F