3NRB

crystal structure of a formyltetrahydrofolate deformylase (puru, pp_1943) from pseudomonas putida kt2440 at 2.05 a resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 109
  • Norm. En. per Res.: -3.7224
• 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	-47.6251	-34.1683	-365.164	-446.9574	139	18	6	15343	4	66	69
A-C	-27.8432	-136.0097	-205.59	-369.4429	105	12	3	9371	9	109	129
A-D	0.0	11.0974	-146.268	-135.1706	82	6	3	6123	0	8	24
B-C	0.0	10.8489	-131.836	-120.9871	71	1	2	5522	0	8	23
B-D	-33.6267	-149.4751	-222.643	-405.7448	109	8	4	9577	13	111	131
C-D	-50.7272	-50.4531	-352.666	-453.8463	138	15	7	15244	4	68	69

Interface residues

• A-B: ALA209A, ALA209B, ALA219A, ALA219B, ALA221A, ALA221B, ALA235A, ALA235B, ALA247A, ALA247B, ALA285A, ALA285B, ARG212A, ARG212B, ARG244A, ARG244B, ARG260A, ARG260B, ARG264A, ARG264B, ARG273A, ARG273B, ARG280A, ARG280B, ASN277A, ASN277B, ASN41A, ASN41B, ASP229A, ASP237A, ASP237B, ASP245A, ASP245B, ASP249A, ASP286A, ASP42A, ASP42B, ASP44A, ASP44B, GLN208A, GLN208B, GLN236A, GLN236B, GLN39A, GLN39B, GLU230A, GLU239A, GLU239B, GLU248A, GLU279A, GLU279B, GLU38A, GLU38B, GLU43A, GLU43B, GLY199A, GLY199B, GLY213A, GLY213B, GLY218A, GLY218B, GLY231A, GLY231B, HIS207A, HIS207B, HIS210A, HIS210B, HIS222A, HIS222B, HIS240A, HIS240B, HIS243A, HIS243B, ILE217A, ILE217B, ILE233A, ILE233B, ILE234A, ILE234B, ILE275A, ILE275B, LEU197A, LEU197B, LEU216A, LEU216B, LEU228A, LEU228B, LEU268A, LEU268B, LEU274A, LEU274B, LYS201A, LYS201B, LYS215A, LYS215B, PHE196A, PHE196B, PHE200A, PHE200B, PHE223A, PHE223B, PHE284A, PHE284B, PHE40A, PHE40B, PHE49A, PHE49B, PRO198A, PRO198B, PRO232A, PRO232B, SER195A, SER195B, SER242A, SER242B, SER246A, SER246B, SER45B, THR211A, THR211B, THR220A, THR220B, THR225A, THR281A, THR281B, VAL214A, VAL214B, VAL238A, VAL238B, VAL241A, VAL241B, VAL261A, VAL261B, VAL276A, VAL276B, VAL282A, VAL282B, VAL283A, VAL283B
• A-C: ALA128A, ALA285A, ALA285C, ALA37A, ALA37C, ARG107A, ARG107C, ARG109A, ARG109C, ARG244A, ARG244C, ARG252A, ARG252C, ARG255A, ARG255C, ARG259A, ARG259C, ARG260A, ARG260C, ARG264A, ARG264C, ARG273A, ARG273C, ASP103A, ASP103C, ASP237A, ASP237C, ASP245A, ASP245C, ASP249A, ASP249C, ASP256A, ASP256C, ASP286A, ASP286C, ASP98A, ASP98C, CYS100A, CYS100C, GLU112A, GLU112C, GLU239A, GLU239C, GLU258C, GLU271A, GLU271C, GLU36A, GLU36C, GLU38A, GLU38C, GLY102A, GLY102C, GLY111A, GLY111C, HIS108A, HIS108C, HIS243C, HIS99A, HIS99C, ILE257A, ILE257C, LEU101A, LEU104C, LEU105A, LEU105C, LEU110A, LEU110C, LEU113A, LEU113C, LEU129A, LEU129C, LEU133A, LEU133C, LEU267A, LEU267C, LEU268A, LEU268C, LYS253A, LYS253C, LYS96A, LYS96C, PHE284A, PHE97A, PHE97C, SER130A, SER130C, SER132A, SER132C, SER242A, SER242C, SER246A, SER263A, SER263C, TYR106A, TYR106C, VAL131A, VAL131C, VAL134C, VAL238A, VAL238C, VAL241A, VAL241C, VAL251A, VAL261A, VAL261C
• A-D: ALA16A, ALA16D, ALA285A, ALA285D, ALA32A, ALA32D, ALA37A, ALA37D, ARG244A, ARG244D, ARG260A, ARG260D, ARG51A, ASN29A, ASN29D, ASN33A, ASN33D, ASN41A, ASN41D, ASP15A, ASP15D, ASP42A, ASP42D, GLN39A, GLN39D, GLU22A, GLU22D, GLU239A, GLU239D, GLU36A, GLU36D, GLU38A, GLU38D, GLU43A, GLU43D, GLU55A, GLU55D, GLY18A, GLY18D, GLY31A, GLY31D, HIS240A, HIS240D, ILE19A, ILE19D, ILE34A, ILE34D, LEU216D, LEU27A, LEU27D, LYS74A, PHE26A, PHE26D, PHE28A, PHE28D, PHE40A, PHE40D, PHE48A, PHE48D, PRO17A, PRO17D, SER21A, SER21D, SER24A, SER24D, SER53A, SER53D, THR25A, THR25D, TYR75A, TYR75D, VAL20A, VAL20D, VAL238D, VAL23A, VAL23D, VAL35A, VAL35D, VAL52A, VAL52D, VAL54A, VAL54D
• B-C: ALA16B, ALA16C, ALA32B, ALA32C, ALA37B, ALA37C, ARG244B, ARG244C, ASN29B, ASN29C, ASN33B, ASN33C, ASN41B, ASN41C, ASP15B, ASP15C, ASP42B, GLN39B, GLN39C, GLU22B, GLU22C, GLU239B, GLU239C, GLU36B, GLU36C, GLU38B, GLU38C, GLU43B, GLU43C, GLY18B, GLY18C, GLY31B, GLY31C, HIS240B, HIS240C, ILE19B, ILE19C, ILE34B, ILE34C, LEU27B, LEU27C, LYS74B, LYS74C, PHE26B, PHE26C, PHE28B, PHE28C, PHE40B, PHE40C, PHE48B, PHE48C, PRO17B, PRO17C, SER21B, SER21C, SER24B, SER24C, SER53B, SER53C, THR25B, THR25C, TYR75B, TYR75C, VAL20B, VAL20C, VAL23B, VAL23C, VAL35B, VAL35C, VAL52B, VAL52C
• B-D: ALA128D, ALA285B, ALA285D, ALA37B, ALA37D, ARG107B, ARG107D, ARG109B, ARG109D, ARG244B, ARG244D, ARG252B, ARG252D, ARG255B, ARG255D, ARG259B, ARG259D, ARG260B, ARG260D, ARG264B, ARG264D, ARG273B, ARG273D, ASP103B, ASP103D, ASP237B, ASP237D, ASP245B, ASP245D, ASP249B, ASP249D, ASP256B, ASP256D, ASP286B, ASP286D, ASP98B, ASP98D, CYS100B, CYS100D, GLU112B, GLU112D, GLU239B, GLU239D, GLU258D, GLU271B, GLU271D, GLU36B, GLU36D, GLU38B, GLU38D, GLY102B, GLY102D, GLY111B, GLY111D, GLY254B, HIS108B, HIS108D, HIS99B, HIS99D, ILE257B, ILE257D, LEU101D, LEU104B, LEU105B, LEU105D, LEU110B, LEU110D, LEU113B, LEU113D, LEU129B, LEU129D, LEU133B, LEU133D, LEU267B, LEU267D, LEU268B, LEU268D, LYS253B, LYS253D, LYS96B, LYS96D, PHE284B, PHE284D, PHE97B, PHE97D, SER130B, SER130D, SER132B, SER132D, SER242B, SER242D, SER246D, SER263B, SER263D, TYR106B, TYR106D, VAL131B, VAL131D, VAL134B, VAL134D, VAL238B, VAL238D, VAL241B, VAL241D, VAL251B, VAL251D, VAL261B, VAL261D, VAL94D
• C-D: ALA209C, ALA209D, ALA219C, ALA219D, ALA221C, ALA221D, ALA235C, ALA235D, ALA247C, ALA247D, ALA285C, ALA285D, ARG212C, ARG212D, ARG244C, ARG244D, ARG260C, ARG260D, ARG264C, ARG264D, ARG273C, ARG273D, ARG280C, ARG280D, ASN277C, ASN277D, ASN41C, ASN41D, ASP229C, ASP229D, ASP237C, ASP237D, ASP245C, ASP245D, ASP42C, ASP42D, ASP44C, ASP44D, GLN208C, GLN208D, GLN236C, GLN236D, GLN39C, GLN39D, GLU230C, GLU230D, GLU239C, GLU239D, GLU279C, GLU279D, GLU38C, GLU38D, GLU43C, GLU43D, GLY199C, GLY199D, GLY213C, GLY213D, GLY218C, GLY218D, GLY231C, GLY231D, HIS207C, HIS207D, HIS210C, HIS210D, HIS222C, HIS222D, HIS240C, HIS240D, HIS243C, HIS243D, ILE217C, ILE217D, ILE233C, ILE233D, ILE234C, ILE234D, ILE257D, ILE275C, ILE275D, LEU197C, LEU197D, LEU216C, LEU216D, LEU228C, LEU268C, LEU268D, LEU274C, LEU274D, LYS201C, LYS201D, LYS215C, LYS215D, PHE196C, PHE196D, PHE200C, PHE200D, PHE223C, PHE223D, PHE284C, PHE284D, PHE40C, PHE40D, PHE49C, PHE49D, PRO198C, PRO198D, PRO232C, PRO232D, SER195C, SER195D, SER242C, SER242D, SER246C, SER246D, SER45C, THR211C, THR211D, THR220C, THR220D, THR225C, THR225D, THR281C, THR281D, VAL214C, VAL214D, VAL238C, VAL238D, VAL241C, VAL241D, VAL261C, VAL261D, VAL276C, VAL282C, VAL282D, VAL283C, VAL283D