3N0V

crystal structure of a formyltetrahydrofolate deformylase (pp_0327) from pseudomonas putida kt2440 at 2.25 a resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 90
  • Norm. En. per Res.: -3.7041
• 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	-71.0027	-26.1257	-342.34	-439.4684	138	20	3	13059	2	39	46
A-C	-63.2913	-5.4924	-254.978	-323.7617	90	13	6	9679	4	43	39
A-D	-2.3082	0.0	-128.891	-131.1992	64	6	1	4241	0	21	39
B-C	-2.5787	0.0	-124.273	-126.8517	69	4	1	4222	0	23	38
B-D	-67.8465	-4.1375	-261.384	-333.368	90	13	6	9964	4	46	39
C-D	-66.2957	-17.6918	-336.452	-420.4395	138	20	3	12618	1	38	46

Interface residues

• A-B: ALA210A, ALA210B, ALA220A, ALA220B, ALA222A, ALA222B, ALA236A, ALA236B, ALA279A, ALA279B, ARG265A, ARG265B, ARG274A, ARG274B, ARG281A, ARG281B, ARG44A, ARG44B, ARG48A, ARG48B, ASN212A, ASN212B, ASN226A, ASN226B, ASN278A, ASN278B, ASN280A, ASN280B, ASP228A, ASP228B, ASP230A, ASP230B, ASP243A, ASP243B, ASP250A, ASP250B, ASP42A, ASP42B, ASP43A, ASP43B, GLN209A, GLN209B, GLN237A, GLN237B, GLN45A, GLN45B, GLU231A, GLU231B, GLU240A, GLU240B, GLU249A, GLU249B, GLY214A, GLY214B, GLY219A, GLY219B, GLY232A, GLY232B, GLY238A, GLY238B, GLY47A, GLY47B, HIS194A, HIS194B, HIS195A, HIS208A, HIS208B, HIS223A, HIS223B, HIS244A, HIS244B, HIS246A, HIS246B, HIS39A, HIS39B, ILE234A, ILE234B, ILE235A, ILE235B, LEU197A, LEU197B, LEU198B, LEU229A, LEU229B, LEU285A, LEU285B, LYS213A, LYS213B, LYS216A, LYS216B, PHE201B, PHE276A, PHE276B, PHE41A, PHE41B, PHE50A, PHE50B, PRO199A, PRO233A, PRO233B, PRO248A, PRO248B, SER196A, SER196B, SER245A, SER245B, SER40A, SER40B, SER46A, SER46B, THR221A, THR221B, THR262A, THR262B, THR282A, THR282B, TYR211A, TYR211B, TYR247A, TYR247B, TYR269A, TYR269B, VAL215A, VAL215B, VAL218A, VAL218B, VAL239A, VAL239B, VAL241A, VAL241B, VAL242A, VAL242B, VAL275A, VAL275B, VAL283A, VAL283B, VAL284A, VAL284B
• A-C: ARG26A, ARG26C, ARG32A, ARG32C, ARG44A, ARG44C, ARG48A, ARG48C, ARG52A, ARG52C, ARG56A, ARG56C, ARG73A, ARG73C, ASP22A, ASP22C, ASP42A, ASP42C, ASP43A, ASP43C, ASP6A, ASP6C, CYS33A, CYS33C, GLN31A, GLN31C, GLU30A, GLU30C, GLU37A, GLU37C, GLU54A, GLY19A, GLY19C, GLY47A, GLY47C, HIS38A, HIS38C, HIS39A, HIS39C, ILE51A, ILE51C, LEU18A, LEU18C, LEU285A, LEU285C, LEU28A, LEU28C, PHE29A, PHE29C, PHE41A, PHE41C, PHE49A, PHE49C, PHE50A, PHE50C, PHE55A, PHE55C, PHE77A, PHE77C, PRO15A, PRO15C, PRO58A, PRO58C, SER16A, SER16C, SER40A, SER40C, THR20A, THR20C, THR25A, THR25C, THR36A, THR36C, THR7A, THR7C, TYR27A, TYR27C, TYR34A, TYR34C, VAL21A, VAL21C, VAL23A, VAL23C, VAL24A, VAL24C, VAL284A, VAL35A, VAL35C, VAL53A, VAL53C
• A-D: ALA133A, ALA133D, ALA253A, ALA253D, ARG109A, ARG109D, ARG111A, ARG111D, ARG256A, ARG256D, ARG274A, ASN104A, ASN104D, ASP100A, ASP100D, ASP105A, ASP105D, ASP257A, ASP257D, CYS102A, CYS102D, CYS260A, CYS260D, GLN114A, GLN114D, GLU37A, GLU37D, GLY113A, GLY113D, HIS101A, HIS101D, HIS134A, HIS134D, HIS136A, HIS136D, HIS244A, HIS244D, HIS39A, HIS39D, ILE112A, ILE112D, ILE138A, LEU103A, LEU103D, LEU106A, LEU106D, LEU107A, LEU107D, LEU132A, LEU132D, LYS137A, LYS137D, LYS254A, LYS254D, SER245A, SER245D, THR36A, THR36D, TRP135A, TRP135D, TYR108A, TYR108D, TYR247A, TYR247D
• B-C: ALA133B, ALA133C, ALA253B, ALA253C, ARG109B, ARG109C, ARG111B, ARG111C, ARG256B, ARG256C, ARG274B, ARG274C, ASN104B, ASN104C, ASP100B, ASP100C, ASP105B, ASP105C, ASP243B, ASP257B, ASP257C, CYS102B, CYS102C, CYS260B, CYS260C, GLN114B, GLN114C, GLU37B, GLU37C, GLY113B, GLY113C, HIS101B, HIS101C, HIS134B, HIS134C, HIS136B, HIS136C, HIS244B, HIS244C, HIS39B, HIS39C, ILE112B, ILE112C, ILE138B, LEU103B, LEU103C, LEU106B, LEU106C, LEU107B, LEU107C, LEU132B, LEU132C, LEU261C, LYS137B, LYS137C, LYS254C, SER245B, SER245C, THR36B, THR36C, THR7B, THR7C, TRP135B, TRP135C, TYR108B, TYR108C, TYR247B, TYR247C, TYR34B
• B-D: ARG26B, ARG26D, ARG32B, ARG32D, ARG44B, ARG44D, ARG48B, ARG48D, ARG52B, ARG52D, ARG56B, ARG56D, ASP22B, ASP22D, ASP42B, ASP42D, ASP43B, ASP43D, ASP6B, ASP6D, CYS33B, CYS33D, GLN31B, GLN31D, GLU30B, GLU30D, GLU37B, GLU37D, GLU54B, GLU54D, GLY19B, GLY19D, GLY47B, GLY47D, HIS38B, HIS38D, HIS39B, HIS39D, ILE51B, ILE51D, LEU18B, LEU18D, LEU285B, LEU285D, LEU28B, LEU28D, PHE29B, PHE29D, PHE41B, PHE41D, PHE49B, PHE49D, PHE50B, PHE50D, PHE55B, PHE55D, PHE77B, PHE77D, PRO15B, PRO15D, PRO58B, PRO58D, SER16B, SER16D, SER40B, SER40D, THR20B, THR20D, THR25B, THR25D, THR36B, THR36D, THR7B, THR7D, TYR27B, TYR27D, TYR34B, TYR34D, VAL21B, VAL21D, VAL23B, VAL23D, VAL24B, VAL24D, VAL284B, VAL284D, VAL35B, VAL35D, VAL53B, VAL53D
• C-D: ALA210C, ALA210D, ALA220C, ALA220D, ALA222C, ALA222D, ALA236C, ALA236D, ALA279C, ALA279D, ARG265C, ARG265D, ARG274C, ARG274D, ARG281C, ARG281D, ARG44C, ARG44D, ASN212C, ASN212D, ASN226C, ASN226D, ASN278C, ASN278D, ASN280C, ASN280D, ASP228C, ASP228D, ASP230C, ASP230D, ASP243C, ASP243D, ASP250C, ASP250D, ASP42C, ASP42D, ASP43C, ASP43D, GLN209C, GLN209D, GLN237C, GLN237D, GLN45C, GLN45D, GLU231C, GLU231D, GLU240C, GLU240D, GLU249C, GLU249D, GLY200C, GLY200D, GLY214C, GLY214D, GLY219C, GLY219D, GLY232C, GLY232D, GLY238C, GLY238D, GLY47C, GLY47D, HIS194C, HIS194D, HIS208C, HIS208D, HIS223C, HIS223D, HIS244C, HIS244D, HIS246C, HIS246D, HIS39C, HIS39D, ILE234C, ILE234D, ILE235C, ILE235D, LEU197C, LEU198C, LEU198D, LEU229C, LEU229D, LEU251D, LEU285C, LEU285D, LYS213C, LYS213D, LYS216C, LYS216D, PHE201C, PHE276C, PHE276D, PHE41C, PHE41D, PHE50C, PHE50D, PRO199D, PRO233C, PRO233D, PRO248C, PRO248D, SER196C, SER196D, SER245C, SER245D, SER40C, SER40D, SER46C, SER46D, THR221C, THR221D, THR262C, THR262D, THR282C, THR282D, TYR211C, TYR211D, TYR247C, TYR247D, TYR269C, TYR269D, VAL215C, VAL215D, VAL218C, VAL218D, VAL239C, VAL239D, VAL241C, VAL241D, VAL242C, VAL242D, VAL275C, VAL275D, VAL283C, VAL283D, VAL284C, VAL284D